phosphoric acid profile

phosphoric acid: concise etchant is 37% H3PO4 [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

phosphoric acid : A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Products

ID Source	ID
PubMed CID	1004
CHEMBL ID	1187
CHEBI ID	26078
CHEBI ID	52641
MeSH ID	M0095805

Synonym
un1805
hsdb 1187
ccris 2949
einecs 231-633-2
acido fosforico [italian]
epa pesticide chemical code 076001
phosphoric acid, ortho-
white phosphoric acid
caswell no. 662
phosphorsaeureloesungen [german]
nsc 80804
acide phosphorique [french]
fosforzuuroplossingen [dutch]
fema no. 2900
h3po4
acidum phosphoricum
trihydroxidooxidophosphorus
CHEBI:26078 ,
tetraoxophosphoric acid
[po(oh)3]
phosphorsaeure
trihydrogen tetraoxophosphate(3-)
phosphoric acid, puriss., >=99%
nsc-80804
acido fosforico
evits
nsc80804
o-phosphoric acid
acide phosphorique
sonac
wc-reiniger
phosphorsaeureloesungen
fosforzuuroplossingen
phosphoric acid (nf)
D05467
NCGC00091005-01
C00009
phosphoric acid
7664-38-2
orthophosphoric acid
phosphoric acid, >=85 wt. % in h2o, >=99.999% trace metals basis
phosphoric acid, bioreagent, suitable for insect cell culture, 85%
phosphoric acid, crystalline, >=99.999% trace metals basis
bdbm14671
phosphoric acid, acs reagent, >=85 wt. % in h2o
phosphoric acid, 85 wt. % in h2o, 99.99% trace metals basis
k-etchant
phosphoric acid, bioultra, >=85% (t)
phosphoric acid, puriss. p.a., acs reagent, packed in coated, shock- and leak-protected glass bottle, >=85% (t)
phosphoric acid, semiconductor grade vlsi puranal(tm) (honeywell 17644)
phosphoric acid, semiconductor grade mos puranal(tm) (honeywell 17938), >=85%
phosphoric acid, semiconductor grade puranal(tm) (honeywell 17861), >=85%
730A9101-D5DE-4668-97CA-7B6178B84417
P1745
superphosphoric acid
phospholeum
CHEBI:52641
62046-92-8
ins-338
e 338
e-338
y-11a06
CHEMBL1187
ins no.338
vococid
phosphoricum acidum
e338
amberphos 54
NCGC00091005-02
68891-72-5
dtxcid804263
cas-7664-38-2
NCGC00257071-01
tox21_303246
dtxsid5024263 ,
tox21_202285
NCGC00259834-01
tox21_111053
phosphate, dihydrogen
oleth-4 phosphate
e4ga8884nn ,
unii-e4ga8884nn
ec 231-633-2
phosphoric acid [un1805] [corrosive]
phosphoric acid [nf]
phosphoric acid [inci]
phosphoric acid [who-dd]
phosphoric acid [mi]
phosphoric acid [usp-rs]
etidronate disodium impurity a [ep impurity]
phosphoric acid [mart.]
phosphoric acid [fcc]
phosphoric acid [hsdb]
zoledronic acid monohydrate impurity f [ep impurity]
phosphoric acid [fhfi]
phosphoric acid [vandf]
phosphoricum acidum [hpus]
phosphoric acid [ii]
pamidronate disodium pentahydrate impurity b [ep impurity]
phosphoric acid [orange book]
phosphoric cid
ortho phosphoric acid
phosphor-ic acid
ortho-phosphoric acid
phosphoric acid, 85%
mfcd00011340
AKOS028109726
J-523994
phosphoric acid, 85%, acs grade
phosphoric acid, puriss. p.a., crystallized, >=99.0% (t)
phosphoric acid, puriss. p.a., acs reagent, reag. iso, reag. ph. eur., >=85%
phosphoric acid, united states pharmacopeia (usp) reference standard
phosphoric acid, jis special grade, >=85.0%
phosphoric acid, puriss., meets analytical specification of ph. eur., bp, nf, fcc, 85.0-88.0%
phosphoric acid, saj first grade, >=85.0%
phosphoric acid, 85%, hplc grade
phosphoric acid (aqueous)
phosphoric acid, technical grade
phosphoric acid, for hplc, >=85%
phosphoric acid, ar, 88-93%
phosphoric acid, lr, 88-93%
phosphoric acid, p.a., acs reagent, reag. iso, 85%
phosphoric acid, acs reagent, 85%
phosphoric acid, ar, >=88%
phosphoric acid ion(3-)
ortho-phosphate
orthophosphate(3-)
phosphate anion(3-)
phosphate ion(3-)
phosphate (po43-)
phosphate ion (po43-)
orthophosphate (po43-)
nfb orthophosphate
phosphoric acid, 10% v/v
phosphoric acid, 75%
DB09394
Q27110336
Q184782
h3 p o4
phosphoric acid, 85% in h2o, 99.99% trace metal basis
naturasilacne
phosphoricum acidum 200c
kefo
phosphoric acid (ii)
decon 4512
phosphoric acid, aqueous
c 134 (acid)
phosphoricum acidum 6c
usepa/opp pesticide code: 076001
phosphoric acid (usp-rs)
(po(oh)3)
naturasilbite relief
phosphoricum acidum kit refill
c 434 (acid)
spa 2 (catalyst)
mikro klene df
phosphoric acid (mart.)
spa 2
naturasilcherry angiomas

Excerpt	Reference	Relevance
"Phosphoric acid has been utilized as a favorable alternative to strong acids for the production of cellulose nanospheres (CNS) in recent years, partly owing to the reduced reliance on mechanical assistance. "	( Controllable self-assembly of cellulose nanospheres through phosphoric acid triggered dissolution-regeneration and degradation. Li, Y; Liu, B; Liu, C; Yuan, Y; Zhang, J; Zheng, B; Zhou, L, 2023)	2.6
"Phosphoric acid has been suggested as an irrigant due to its effectiveness in removing the smear layer."	( Antimicrobial and cytotoxic effects of phosphoric acid solution compared to other root canal irrigants. Almeida, JF; Duque, TM; Ferraz, CC; Gomes, BP; Prado, M; Silva, EJ; Zaia, AA, )	1.84

Excerpt	Reference	Relevance
"Phosphoric acid did not cause a visible surface change on the SEM photos."	( Cleaning and modification of intraorally contaminated titanium discs with calcium phosphate powder abrasive treatment. Liu, Y; Tastepe, CS; Visscher, CM; Wismeijer, D, 2013)	1.11
"o-Phosphoric acid was found to enhance phosphopeptide ion signals in MALDI-MS when used as the acid dopant in 2,5-dihydroxybenzoic acid (2,5-DHB) matrix."	( Phosphoric acid enhances the performance of Fe(III) affinity chromatography and matrix-assisted laser desorption/ionization tandem mass spectrometry for recovery, detection and sequencing of phosphopeptides. Jensen, ON; Stensballe, A, 2004)	2.32

Excerpt	Reference	Relevance
"35% phosphoric acid gel treatment was the control group."	( Etch-mineralizing treatment to improve dentin bonding. Ding, N; Wang, Y; Zhang, Z; Zong, Z, 2022)	1.2
"Phosphoric acid treatment removed proteins and nucleic acids from the pollen core and transformed esters into carboxylic acids."	( Physical and Biochemical Characterization of Chemically Treated Pollen Shells for Potential Use in Oral Delivery of Therapeutics. Abidi, N; Gill, HS; Liyanage, S; Uddin, MJ, 2018)	1.2
"Phosphoric acid treatment seems the most promising surface treatment for increasing the enamel and dentin bond strength of Silorane System Adhesive."	( Influence of laser etching on enamel and dentin bond strength of Silorane System Adhesive. Dayangac, B; Gorucu, J; Ustunkol, I; Yazici, AR, 2015)	1.14
"With phosphoric acid, surface treatment achieved the lowest CSBS value; there was no significant difference between this group and the control group."	( Effects of cyclic loading on the shear bond strength of metal orthodontic brackets bonded to resin composite veneer surface using different conditioning protocols. El Banna, MS; Hammad, SM, 2013)	0.84
"Phosphoric acid treatment of titanium dioxide is an effective method to inhibit photocatalytic activity for a white pigment."	( Temperature dependence and P/Ti ratio in phosphoric acid treatment of titanium dioxide and powder properties. Matsukura, A; Onoda, H, 2015)	2.13
"Phosphoric acid pretreatment showed morphological changes of OPEFB, indicated by the damage of fibre structure into smaller particle size."	( Structural changes of oil palm empty fruit bunch (OPEFB) after fungal and phosphoric acid pretreatment. Cahyanto, MN; Ishola, MM; Millati, R; Niklasson, C; Syamsiah, S; Taherzadeh, MJ, 2012)	1.33
"Orthophosphoric acid treatment was the least effective surface treatment method evaluated."	( Effect of surface treatment on roughness and bond strength of a heat-pressed ceramic. Ayad, MF; Fahmy, NZ; Rosenstiel, SF, 2008)	0.8
"Pretreatment with phosphoric acid, combination of both methods and just fungal pretreatment improved the digestibility of OPEFB by 24.0, 16.5 and 4.5 times, respectively."	( Effect of fungal and phosphoric acid pretreatment on ethanol production from oil palm empty fruit bunches (OPEFB). Ishola, MM; Taherzadeh, MJ, 2014)	1.04
"Pre-treatment with phosphoric acid modified β-zeolite in acid catalyzed esterification process preceded by transesterification which was done using conventional alkali catalyst potassium hydroxide (KOH)."	( Two-step biodiesel production from Calophyllum inophyllum oil: optimization of modified β-zeolite catalyzed pre-treatment. Kalimuthu, J; Periyaraman, PM; SathyaSelvabala, V; Selvaraj, DK; Subramanian, S, 2011)	0.69
"The treatment with phosphoric acid (lowest pH) produced the highest roughness increase on both dentin substrates."	( Effect of acid etching on dentin wettability and roughness: self-etching primers versus phosphoric acid. Aguilar-Mendoza, JA; Cabrerizo-Vílchez, MA; Rodríguez-Valverde, MA; Rosales-Leal, JI, 2008)	0.89

Excerpt	Reference	Relevance
" The toxic reactions to Gluma Bond were far more pronounced compared with the toxic reactions to 3M Etching Liquid in both models."	( Toxic effects of two dental materials on human buccal epithelium in vitro and monkey buccal mucosa in vivo. Arenholt-Bindslev, D; Hörsted-Bindslev, P; Philipsen, HP, 1987)	0.27
"The results of this study indicated that cell viability recorded by the 45S5 bioglass paste group did not differ significantly from those of the Caviton, glass ionomer or superseal, moreover pulpal cells microscopic analysis revealed that 45S5 bioglass elicited minimal toxic effect."	( Cytotoxicity of 45S5 bioglass paste used for dentine hypersensitivity treatment. Bakry, AS; Kasugai, S; Ohya, K; Otsuki, M; Tagami, J; Tamura, Y, 2011)	0.37
" Combinations of agents showed additive toxic effects."	( L929 fibroblast bioassay on the in vitro toxicity of SnCl2, H3PO4, Clearfil SE primer and combinations thereof. Ganss, C; Gruber, R; Lussi, A; Schlueter, N, 2016)	0.43
" The Panel reviewed data relating to the safety of these ingredients and concluded that Phosphoric Acid and its salts are safe in the present practices of use and concentration in cosmetics when formulated to be nonirritating."	( Safety Assessment of Phosphoric Acid and Its Salts as Used in Cosmetics. Belsito, DV; Bergfeld, WF; Boyer, I; Gill, LJ; Heldreth, B; Hill, RA; Johnson, W; Klaassen, CD; Liebler, DC; Marks, JG; Shank, RC; Slaga, TJ; Snyder, PW, )	0.67

Excerpt	Reference	Relevance
"The purpose of the present study was to compare ethylenediaminetetraacetic acid conditioning and phosphoric acid conditioning of dentin in combination with two principally different commercial dentin bonding systems."	( Acid conditioning combined with single-component and two-component dentin bonding agents. Blomlöf, J; Cederlund, A; Jonsson, B; Ohlson, NG, 2001)	0.53
"Use of ethylenediaminetetraacetic acid in combination with All-Bond 2 resulted in a significantly greater bond strength to dentin than did conventional acid etching."	( Acid conditioning combined with single-component and two-component dentin bonding agents. Blomlöf, J; Cederlund, A; Jonsson, B; Ohlson, NG, 2001)	0.31
" After self-etching primer application, Fuji Ortho LC produced the highest shear bond strengths under all the different enamel surface conditions; these values were significantly higher than those achieved in the remaining groups, except when Fuji Ortho LC was used in combination with 37% phosphoric acid on dry enamel."	( Use of a self-etching primer in combination with a resin-modified glass ionomer: effect of water and saliva contamination on shear bond strength. Baluga, L; Cacciafesta, V; Klersy, C; Scribante, A; Sfondrini, MF, 2003)	0.5

Excerpt	Reference	Relevance
" Our research examined the in vitro formation of pyromorphite (K(sp) = 10(-25)) to significantly reduce Pb bioavailability via the reaction of PbCl(2) and Pb paint with cola soft drinks (regular, caffeine-free, and diet) that contain phosphoric acid."	( In vitro formation of pyromorphite via reaction of Pb sources with soft-drink phosphoric acid. Ryan, JA; Scheckel, KG, 2003)	0.73
" We conducted a study to determine whether the addition of phosphoric acid to sediments would reduce the bioavailability of lead to mallards (Anas platyrhynchos)."	( Phosphorus amendment reduces bioavailability of lead to mallards ingesting contaminated sediments. Audet, DJ; Heinz, GH; Hoffman, DJ, 2004)	0.57
" The bioavailability of radionuclides (226Ra, 210Pb and 232Th), rare earth elements and Ba to the surrounding aquatic system was evaluated by the application of sequential leaching of the phosphogypsum samples from the Brazilian phosphoric acid producers."	( Partitioning of radionuclides and trace elements in phosphogypsum and its source materials based on sequential extraction methods. Fávaro, DI; Mazzilli, BP; Santos, AJ; Silva, PS, 2006)	0.52
" This study was conducted to determine whether the addition of phosphoric acid to CDARB sediments would reduce the bioavailability and toxicity of lead to the liver and kidney of mallards (Anas platyrhynchos)."	( Phosphorus amendment reduces hepatic and renal oxidative stress in mallards ingesting lead-contaminated sediments. Audet, DJ; Heinz, GH; Hoffman, DJ, 2006)	0.57
"6-fold greater after simultaneous administration, leading to about 70- and 2-fold improved oral bioavailability of paclitaxel compared with paclitaxel alone and the simultaneous administration with HM30181M powder, respectively."	( Effect of HM30181 mesylate salt-loaded microcapsules on the oral absorption of paclitaxel as a novel P-glycoprotein inhibitor. Choi, HG; Jin, SG; Kim, DS; Kim, DW; Kim, JC; Kim, JO; Kim, KS; Kim, YI; Park, JH; Woo, JS; Yong, CS; Youn, YS, 2016)	0.43
" It was determined that soil washing agents and their washing order were critical to removal efficiencies of metal fractions, metal bioavailability and potential mobility due to different levels of dissolution of residual fractions and inter-transformation of metal fractions."	( Removal of arsenic and cadmium with sequential soil washing techniques using Na2EDTA, oxalic and phosphoric acid: Optimization conditions, removal effectiveness and ecological risks. Chen, J; Wang, X; Wei, M, 2016)	0.65
"The ATP-binding cassette transporter P-glycoprotein (P-gp) is known to limit both brain penetration and oral bioavailability of many chemotherapy drugs."	( A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein. Ambudkar, SV; Brimacombe, KR; Chen, L; Gottesman, MM; Guha, R; Hall, MD; Klumpp-Thomas, C; Lee, OW; Lee, TD; Lusvarghi, S; Robey, RW; Shen, M; Tebase, BG, 2019)	0.51

Excerpt	Relevance	Reference
"Rapid, precise, accurate and specific ratio spectra derivative spectrophotometry and high-performance liquid chromatographic procedures were described for the simultaneous determination of hydrochlorothiazide and amiloride hydrochloride in combined pharmaceutical dosage forms."	( Simultaneous determination of hydrochlorothiazide and amiloride hydrochloride by ratio spectra derivative spectrophotometry and high-performance liquid chromatography. Erk, N; Kartal, M, 1999)	0.3
" This assay may be used for the determination of purity, identity and strength for the active ingredient and finished dosage forms."	( Ranitidine hydrochloride: development of an isocratic stability--indicating high-performance liquid chromatographic separation. Munro, JS; Walker, TA, 2001)	0.31
" The effect of adsorption on contact time, concentration of MG and adsorbent dosage of the samples treated or carbonized at different temperatures were investigated."	( Adsorption characteristics of malachite green on activated carbon derived from rice husks produced by chemical-thermal process. Rahman, IA; Saad, B; Shaidan, S; Sya Rizal, ES, 2005)	0.33
" Powders and liquids were dosed into capsules at various powder:liquid ratios and cements thus formed were assessed for 24-h compressive strength."	( The effects of boric acid and phosphoric acid on the compressive strength of glass-ionomer cements. Burrow, MF; Prentice, LH; Tyas, MJ, 2006)	0.62
" Therefore, despite the potential for conversion to a hydrochloride salt form, certain nonhydrochloride salt forms may still be preferred for dosage form development due to kinetic advantages during dissolution, such as higher apparent dissolution rate of a nonhydrochloride salt before it could completely convert to the hydrochloride form."	( Effect of chloride ion on dissolution of different salt forms of haloperidol, a model basic drug. Doyle, P; Li, S; Metz, S; Royce, AE; Serajuddin, AT, 2005)	0.33
"A rapid and sensitive assay for quantitative determination of rutin in oral dosage forms based on isocratic reversed phase high performance liquid chromatography (RP-HPLC) was developed and validated."	( Isocratic RP-HPLC method for rutin determination in solid oral dosage forms. Ilić, K; Ivković, B; Kuntić, V; Mićić, S; Pejić, N; Vujić, Z; Vukojević, V, 2007)	0.34
"We report the first case of a pharmaceutical cocrystal formed between an inorganic acid and an active pharmaceutical ingredient (API), which enabled us to develop a stable crystalline and bioavailable solid dosage form for pharmaceutical development where otherwise only unstable amorphous free form or salts could have been used."	( Development of a pharmaceutical cocrystal of a monophosphate salt with phosphoric acid. Ball, RG; Chen, AM; Dormer, PG; Ellison, ME; Euler, DH; Mathre, DJ; Natishan, TK; Peresypkin, A; Santos, I; Savarin, CG; Variankaval, N; Wang, Y; Wenslow, RM; Ye, Z, 2007)	0.57
" The influence of solubilizers on the aqueous solubility of the itraconazole, ketoconazole and miconazole was investigated in order to enhance their solubility for a possible parenteral dosage form."	( Aqueous solvent system for the solubilization of azole compounds. Antal, I; Klebovich, I; Kovács, K; Ludányi, K; Stampf, G, 2009)	0.35
" Potential benefits include recovery of phosphate for reuse, lower required dosage of calcium for fluoride removal, and less amount of CaF(2) sludge."	( Selective separation of phosphate and fluoride from semiconductor wastewater. Liu, JC; Warmadewanthi, B, 2009)	0.35
" This new method can be utilized for routine analysis of FOS, CLO and ALN in dosage forms because of its efficiency, reliability, speed and simplicity."	( Rapid analysis of alkylphosphonate drugs by capillary zone electrophoresis using indirect ultraviolet detection. Prutthiwanasan, B; Suntornsuk, L, 2010)	0.36
" Microradiographic analyses showed that the mineral vol% of the surface was increased, and lesion formation was inhibited, in a dose-response relationship with the amount of S-PRG filler."	( Effect of denture base-resin with prereacted glass-ionomer filler on dentin demineralization. Fujino, F; Hirata, Y; Kamijo, K; Mukai, Y; ten Cate, JM; Teranaka, T, 2009)	0.35
"03 around the pH-setpoint, by pneumatically dosing ammonia solution and phosphoric acid to each culture well."	( Bioprocess control in microscale: scalable fermentations in disposable and user-friendly microfluidic systems. Buchenauer, A; Büchs, J; Funke, M; Hein, L; Kensy, F; Kluge, S; Mokwa, W; Müller, C, 2010)	0.59
" The liquid dosing as well as the biomass growth kinetics of the process-controlled fermentations agreed well both in the microscale and laboratory scale."	( Bioprocess control in microscale: scalable fermentations in disposable and user-friendly microfluidic systems. Buchenauer, A; Büchs, J; Funke, M; Hein, L; Kensy, F; Kluge, S; Mokwa, W; Müller, C, 2010)	0.36
" The developed spectrophotometric methods depend on determination of MEH and DF in the combined dosage form using the successive derivative ratio spectra method which depends on derivatization of the obtained ratio spectra in two steps using methanol as a solvent and measuring MEH at 226."	( Validated chromatographic and spectrophotometric methods for analysis of some amoebicide drugs in their combined pharmaceutical preparation. Abdelaleem, EA; Abdelwahab, NS, 2013)	0.39
" The proposed method can be used for simultaneous estimation of these drugs in marketed dosage forms."	( RP-HPLC method development and validation for simultaneous estimation of atorvastatin calcium and pioglitazone hydrochloride in pharmaceutical dosage form. Ammineni, P; Kondreddy, Vk; Mallikarjuna, S; Peraman, R, 2014)	0.4
"0358 mg/g at a dosage of 2 g/L after 180 min."	( Characterization of H3PO4-treated rice husk adsorbent and adsorption of copper(II) from aqueous solution. Ma, F; Meng, Q; Zhang, Y; Zhao, J; Zheng, R, 2014)	0.4
"Phosphate dosing of drinking water supplies, coupled with leakage from distribution networks, represents a significant input of phosphorus to the environment."	( Isotopic Fingerprint for Phosphorus in Drinking Water Supplies. Ascott, MJ; Bennett, SA; Gooddy, DC; Heaton, TH; Lapworth, DJ; Surridge, BW, 2015)	0.42
" Kinetics and equilibrium isotherms were obtained and the effects of solution pH value and adsorbent dosage were studied in batch experiments."	( Study of Pb²⁺, Cd²⁺ and Ni²⁺ adsorption onto activated carbons prepared from glycyrrhiza residue by KOH or H₃PO₄activation. Fan, W; Feng, N; Ma, C; Shi, Y; Zhang, J, 2015)	0.42
" The proposed method was successfully applied to the analysis of these drugs in dosage forms."	( Bioanalytical method for the estimation of co-administered esomeprazole, leflunomide and ibuprofen in human plasma and in pharmaceutical dosage forms using micellar liquid chromatography. Talaat, W, 2017)	0.46
" The effect of bleaching earth dosage (15-40 wt %), phosphoric acid dosage (0."	( Refining of crude rubber seed oil as a feedstock for biofuel production. Abdullah, B; Azmee, FN; Cheah, KW; Gurdeep Singh, HK; Lam, HL; Yusup, S, 2017)	0.71
" The combination of high dosage phosphoric acid during degumming with the use of acid activated bleaching earth eliminated almost all glycidyl esters during refining."	( New Insights on Degumming and Bleaching Process Parameters on The Formation of 3-Monochloropropane-1,2-Diol Esters and Glycidyl Esters in Refined, Bleached, Deodorized Palm Oil. Abas, F; Khor, YP; Lai, OM; Muhamad, H; Nehdi, IA; Sim, BI; Tan, CP; Yeoh, CB, 2018)	0.76
" Increase in initial feed concentration enhanced the adsorption ability of DPAC and the rise in adsorbent dosage resulted in improved Pb(II) removal efficiency."	( Date pits activated carbon for divalent lead ions removal. Banat, F; Govindan, B; Krishnamoorthy, R; Purushothaman, M; Sagadevan, V; Show, PL, 2019)	0.51

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Viandes et dérivés, Viandes, Charcuteries, Saucissons, Chorizo	1
Meats and their products, Meats, Prepared meats, Sausages	2
Viandes et dérivés, Viandes, Charcuteries, Saucissons, Chorizo, Chorizo doux	1
Viandes et dérivés, Viandes, Charcuteries, Saucissons, Chorizo, Chorizo en tranches	1
Boissons, Boissons alcoolisées, Cidres	1
Snacks, Sweet snacks, Cocoa and its products, Confectioneries, Chocolate candies	2
Plant-based foods and beverages, Plant-based foods, Fats, Vegetable fats, Vegetable oils, Fruit and fruit seed oils, Coconut oils	3
Plant-based foods and beverages, Beverages, Plant-based beverages, Coconut waters	1
Plant-based foods and beverages, Beverages, Plant-based foods, Coffees, Instant beverages, Instant coffees	1
Dairies, Fermented foods, Fermented milk products, Cheeses, Cooked-pressed-cheeses, French cheeses, Comté	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Condiments, Aliments à base de fruits et de légumes, Produits à tartiner, Plantes condimentaires, Pâtes à tartiner végétales, Produits à tartiner salés, Légumes et dérivés, Oignons et d	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Petit-déjeuners, Céréales et pommes de terre, Céréales et dérivés, Céréales pour petit-déjeuner, Flocons, Flocons de céréales, Céréales extrudées, Flocons extrudés, Corn-flakes	1
Cooking helpers	2
en:ice-cream-tubs	1
Crêpes et galettes, Crêpes	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages de France, Fromages de chèvre, Fromages à pâte molle à croûte naturelle, Crottins de Chavignol	1
Snack, Snack dolci, Biscotti e torte, Torta, Cheesecake	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Vegetables based foods, Cucumbers	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Frozen foods, Vegetables based foods, Frozen plant-based foods, Frozen vegetables	3
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Frucht- und gemüsebasierte Lebensmittel, Gemüsebasierte Lebensmittel, Gemüse, Tomaten und Tomatenprodukte, Tomaten	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Fruits, Dattes	1
nl:B	1
Snacks, Sweet snacks, Biscuits and cakes, Biscuits	8
Produits à tartiner, Produits à tartiner salés, en:Dried tomatoes spreads, en:Tomato spreads	1
Meals, Pasta dishes	1
Plant-based foods and beverages, Plant-based foods, Condiments, Spices, Curry powder	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Konserven, Frucht- und gemüsebasierte Lebensmittel, Konserven-Produkte auf pflanzlicher Basis, Eingelegte Lebensmittel, Gemüsebasierte Lebensmittel, Gemüsekonserven, Pflanzliches eingelegtes	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Pastas, Noodles	1
Meats and their products, Meats, Chicken and its products, Poultries, Chickens	1
Farming products, Eggs	2
Plant-based foods and beverages, Plant-based foods, Fats, Vegetable fats, Olive tree products, Vegetable oils, Olive oils, Extra-virgin olive oils, Virgin olive oils	4
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Céréales et dérivés, Farines, Farines de céréales, Farines de blé	1
Produits de la mer, Poissons et dérivés, Conserves, Poissons, Poissons gras, Poissons en conserve, Thons, Thons en conserve, Filets de poissons, Thons à l'huile, Thons à l'huile d'olive, Filets de thon	1
Plant-based foods and beverages, Plant-based foods, Canned foods, Fruits and vegetables based foods, Canned plant-based foods, Vegetables based foods, Canned vegetables	1
Poissons et viandes et oeufs, Foies gras, Bloc de foie gras	1
Poissons et viandes et oeufs, Foies gras, Foies gras de canard, Foies gras entiers, Foies gras de canard entiers	4
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Fruits based foods, Fruits, en:strawberries	1
Boissons, Produits fermentés, Boissons fermentées, Boissons au thé, Kombuchas	1
Snacks, Sweet snacks, Biscuits and cakes, Cakes, Cooking helpers, Pastry helpers, Baking Mixes, Dessert mixes, Cake mixes	1
ca:Fuet	1
Canned foods, Meats and their products, Meats, Canned meats	1
Meats and their products, Meats, Poultries	2
Crêpes et galettes, Galettes, Galettes de blé noir	1
Botanas, Snacks dulces, Galletas y pasteles, Galletas	2
Beverages, Carbonated drinks, Sodas	8
Snacks, Sweet snacks, Confectioneries, Candies	1
Ice cream in individual cup	1
Beverages, Waters	6
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages à pâte persillée, Fromages italiens, Gorgonzolas	1
Dietary supplements	3
Latticini, Cibi fermentati, Prodotti lattiero-caseari fermentati, Formaggi, Formaggi italiani, Grana Padano	1
Sweeteners, Sugars, Granulated sugars	2
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads, Special breads, Flatbreads, Pitas	1
Beverages, Tea-based beverages, Iced teas	2
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Pains, Gressins	2
en:marshmallows	2
en: Half milk and half cream	1
en:open-beauty-facts	2
Desserts, Surgelés, Desserts glacés, Glaces et sorbets, Sorbets	2
Condiments, Sauces, Barbecue sauces, Groceries	2
Plant-based foods and beverages, Plant-based foods, Coffees	1
Snacks, Sweet snacks, Biscuits and cakes	3
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Condiments, Plantes condimentaires, Plantes aromatiques, Produits déshydratés, Aliments à base de plantes séchées, Plantes aromatiques sèches moulues, Mélanges de plantes aromatiques, H	2
Productos agrícolas, Huevos	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Vegetables based foods, Leaf vegetables, Lettuces, Iceberg lettuce	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Fruits based foods	2
Desserts	2
Meats and their products, Meats, Prepared meats	6
Viandes et dérivés, Viandes, Charcuteries, Jambons, Jambons blancs	3
Condiments, Sauces, Sauces tomate, Ketchup	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Pâtisseries, Kouign-amann	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Krumiri	1
Snacks, Snacks sucrés, Confiseries	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Condiments, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Sauces, Sauces dessert, Coulis de fruits, Coulis de fruits rouges	1
en:foies-gras-from-ducks	1
Snacks, Snacks sucrés, Confiseries, Bonbons, Bonbons français, Bêtises de Cambrai	2
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Petit-déjeuners, Produits à tartiner, Fruits et produits dérivés, Pâtes à tartiner végétales, Produits à tartiner sucrés, Confitures et marmelad	3
Gewürzmittel, Saucen, Sojasoßen	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Seeds, Cereals and their products, Cereal grains, Rices	2
en:cakes	1
Viandes et dérivés, Viandes, Volailles, Canards, Magrets de canard	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Fruits, Agrumes, Mandarines	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Fruits, Fruits tropicaux	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels	4
Fats	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages italiens, Gorgonzola et mascarpone	1
Condiments, Sauces, Mayonnaises	2
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Miels d'acacia	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Préparations à base de miel, Préparations à base de miel et propolis	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Miels crémeux	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Miels de châtaignier	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Miels de fleurs, Miels crémeux	1
Desayunos, Untables, Untables dulces, Productos apícolas, Productos agrícolas, Endulzantes, Mieles	1
Colazioni, Spalmabili, Spalmabili dolci, Prodotti delle api, Prodotti agricoli, Edulcoranti, Miele	1
Condiments, Sauces, Dips, Groceries	7
Desserts, Frozen foods, Frozen desserts	5
Snacks, Snacks sucrés, Confiseries, Bonbons	4
en:frozen-desserts	1
Dairies, Fermented foods, Fermented milk products, Cheeses, Italian cheeses, Stretched-curd cheeses, Mozzarella	1
Produits panés	1
en:mueslis	1
Snacks, Salty snacks, Appetizers, Crackers	2
Condiments, Sauces, Moutardes	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Dried products, Pastas, Dried products to be rehydrated, Noodles, Instant noodles	1
Produits de la mer, Plats préparés, Crustacés, Crevettes, Nems, Nem aux crevettes	1
Produits d'élevages, Œufs	1
Plant-based foods and beverages, Plant-based foods, Pickles, Olive tree products, Plant-based pickles, Olives	1
Plats préparés, Soupes	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Pastas	3
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products	6
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Fruits based foods, Fruits, Berries, Strawberries	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Vegetables based foods, Tomatoes and their products, Tomatoes	1
Snacks,Sweet snacks,Sweet pastries and pies,Viennoiseries,Chocolate croissant	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Pains, Pains de seigle	2
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Biscuits sablés, Palets	2
en:pork-pates	1
Plant-based foods and beverages, Plant-based foods, Fats, Vegetable fats	3
Condiments, Sauces, Sauces Pesto, Pestos au basilic	2
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Vegetables based foods, Beet	1
Desserts, Surgelés, Desserts glacés, Glaces et sorbets	1
Meats and their products, Prepared meats, Meat alternatives, Sausages, Meat analogues	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Condiments, Epices, Poivres, Graines de poivre, Poivres noirs, Poivre noir en grains	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Pommes de terre	1
en:dried-tomatoes	1
Condiments, Dried products, Dried products to be rehydrated, Sauces, Dehydrated sauces, Groceries	3
Viandes et dérivés, Viandes, Volailles	1
Salted snacks	7
Boissons, Boissons gazeuses, Sodas, Eau tonique	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale	1
Plant-based foods and beverages, Plant-based foods, Pickles, Olive tree products, Plant-based pickles, Olives, Green olives	1
Lácteos, Comidas fermentadas, Productos fermentados de la leche, Quesos, Quesos de vaca, Quesos españoles, Afuega'l Pitu, Queso Afuega'l pitu	1
Lácteos, Comidas fermentadas, Productos fermentados de la leche, Quesos, en:Gouda cheese, en:Gouda cheeses, Queso Gouda	1
Cibi e bevande a base vegetale, Cibi a base vegetale, Cereali e patate, Semi, Cereali e i loro prodotti, Semi di cereale, Quinoa	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Produits déshydratés, Aliments à base de plantes séchées, Fruits secs, Raisins secs, Raisins secs Sultanines	1
Cow milk yogurts	1
Meals, Rice dishes	2
Viandes et dérivés, Produits à tartiner, Viandes, Charcuteries, Produits à tartiner salés, Rillettes, Rillettes de viande, Rillettes de viande blanche, Rillettes de volaille, Rillettes de canard	2
Produits à tartiner, Produits à tartiner salés, Rillettes	1
Produits de la mer, Poissons et dérivés, Poissons, Produits à tartiner, Poissons gras, Produits à tartiner salés, Rillettes, Thons, Préparations de poisson, Rillettes de poissons, Rillettes de thon	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Graines, Céréales et dérivés, Céréales en grains, Riz, Riz parfumés, Riz de variété indica, Riz long grain, Riz Basmati	1
Boissons, Boissons alcoolisées, Vins, Vins français, Rosé de Loire Val de Loire	1
Viandes et dérivés, Viandes, Charcuteries, Saucissons, Rosettes, Rosette tranchée	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Biscuits sablés	1
Condiments, Sauces, Sauces tomate, Sauces tomates au basilic, en:groceries	1
Viandes et dérivés, Charcuteries	1
Saucisson au canard	1
Meals, Pizzas pies and quiches, Pizzas	4
Dietary supplements, Kids Vitamins	1
Frühstücke, Brotaufstriche, Süße Brotaufstriche, Bienenprodukte, Landwirtschaftliche Produkte, Süßstoffe, Honige	1
Plats préparés, Soupes, Soupes à réchauffer, Soupes de poissons	1
Aliments et boissons à base de végétaux, Boissons, Boissons chaudes, Boissons à base de végétaux, Thés	1
Squacquerone di Romagna	1
en:dairy-desserts	1
Beverages, Dried products, Dried products to be rehydrated, Dehydrated beverages	2
Plats préparés, en:sushis-and-makis, Sushis	1
Plats préparés, Taboulés	1
Produits à tartiner, Produits à tartiner salés, Tapenades, Tapenades vertes	2
Viandes et dérivés, Viandes, Charcuteries, Terrines, Terrines de sanglier	1
Boissons, Boissons alcoolisées, Bières, Aliments festifs, Aliments et boissons de Noël, Bières de Noël	1
Aliments et boissons à base de végétaux, Boissons, Boissons chaudes, Boissons à base de végétaux, Thés, Thés blancs	1
Boissons	6
Viandes et dérivés, Viandes, Charcuteries, Saucisses	2
en:Plant-based foods and beverages Plant-based foods Fruits and vegetables based foods Vegetables based foods Tomatoes and their products Tomatoes fresh-vegetables	1
Mexican Dinner Mixes	1
Viandes et dérivés, Plats préparés, Plats préparés à la viande, Spécialités à base de tripes, Tripes à la mode de Caen	1
Seafood, Fishes and their products, Canned foods, Fishes, Fatty fishes, Canned fishes, Tunas, Canned tunas, Tuna-flakes-in-brine	1
Meals, Meals with fish, Prepared salads, Salads with fish, Tuna-salad	1
Meats and their products, Meats, Pork and its products, Pork, Bacon, Unsmoked bacon, Back bacon, Unsmoked back bacon	1
Boissons, Eaux, Eaux de sources	1
Viandes et dérivés, Viandes, Charcuteries, Jambons, Jambon persillé, Jambon persillé de Bourgogne	1
en:sodas	1
Baking decorations	2
Plant-based foods and beverages, Plant-based foods, Canned foods, Fruits and vegetables based foods, Canned plant-based foods, Fruits based foods, Canned fruits	1
Zuppa legumi e cereali	1
Condiments, en:groceries	1
Snacks, Snacks sucrés, Cacao et dérivés, Chocolats, Chocolats noirs, Chocolats à la liqueur	1
Makeutusaineet, Sokerit, Jalostetut sokerit	1
Aliments et boissons à base de végétaux, Boissons, Boissons à base de végétaux, Boissons aux fruits, Jus et nectars, Jus de fruits, Jus de raisin	2
Snacks, Sweet snacks, Bars, Cereal bars	2
Plant-based foods and beverages, Plant-based foods, Fats, Spreads, Plant-based spreads, Spreadable fats, Vegetable fats, Margarines	1
Auf Fleisch basierende Lebensmittel, Fleisch, Zubereitetes Fleisch, Würste, Fleischwurst	1
Dairies, Fermented foods, Fermented milk products, Spreads, Cheeses, Salted spreads, Fresh cheeses, Cheese spreads, Cottage cheeses	1
Plant-based foods and beverages, Plant-based foods, Breakfasts, Spreads, Plant-based spreads, Sweet spreads, Fruit and vegetable preserves, Jams	1
Succo di mela ananas e zenzero estratti a freddo	1
Condiments, Sauces, Soy sauces	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Produits à tartiner, Pâtes à tartiner végétales, Légumes et dérivés, Oignons et dérivés, Confits d'oignons	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Petit-déjeuners, Produits à tartiner, Pâtes à tartiner végétales, Produits à tartiner sucrés, Confitures et marmelades, Confitures, Confitures d'abricot	1
Boissons, Sirops, Sirops aromatisés	1
Snacks, Sweet snacks, Confectioneries, Marzipan	1
Botanas, Snacks dulces, Cacao y sus productos, Chocolates, Chocolates negros	1
Latticini	2
Iaurt	1
Snacks, Snacks salés, Amuse-gueules, Chips et frites, Chips, Chips de manioc, Chips-de-manioc-a-la-crevette	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Teigwaren, Nudeln, Eierteigwaren	1
Productos del mar, Conservas, Pescados, en:Fatty fishes, Conservas de pescado, Atunes, Atun en conserva, Atún en aceite, Atún en aceite de girasol	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Pastas, Spaghetti	2
Snacks, Snacks sucrés, Confiseries, en:Festive foods, Aliments et boissons de Noël, Confiseries de Noël, Touron, Tourons aux amandes, Tourons croquants aux amandes, es:Turrón de Alicante	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Petit-déjeuners, Céréales et pommes de terre, Céréales et dérivés, Céréales pour petit-déjeuner, Flocons, Flocons de céréales	1
Produits d'élevages, Œufs, Œufs de poules	1
Viandes et dérivés, Plats préparés, Plats préparés à la viande, Plats à la volaille, Plats à base de haricots, Plats au canard, Cassoulets, Cassoulets au confit de canard, Cassoulet de castelnaudary, Cassoulet de castelnaudary au canard	1
Snacks, Snacks sucrés, Surgelés, Biscuits et gâteaux, Biscuits	1
Plant-based foods and beverages, Plant-based foods, Breakfasts, Cereals and potatoes, Cereals and their products, Breakfast cereals	1
Imbiss,Süßer Snack,Kekse und Kuchen,Kuchen,Nusskuchen	1
Alimentos y bebidas de origen vegetal,Alimentos de origen vegetal,Aceites y grasas,Grasas vegetales,Productos del olivo,Aceites vegetales,Aceites de oliva	1
Cibi e bevande a base vegetale, Cibi a base vegetale, Pasta, Pasta secca, Fusilli	1
Beverages, Carbonated drinks, Sodas, Tea-based beverages, Iced teas, Lemonade, Iced teas with lemonade	1
Boissons, Boissons alcoolisées, Vins, Vins rouges	2
white hams	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Cereales y patatas, Cereales y derivados, Tortitas de cereales, Tortitas de trigo	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages à pâte fraîche, Fromages pasteurisés, Fromages de brebis, Brousses	1
Smaakmakers, Vleesproducten, Sauzen, Vleessauzen, Pastasauzen, Pastasauzen met vlees, Bolognaisesauzen	1
Pflanzliche Lebensmittel und Getränke, Getränke, Pflanzliche Getränke, Smoothies	1
Condiments, Sauces, Mayonnaises, Light mayonnaises, Groceries	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Pains d'épices	3
Shelf-stable cooking helpers	1
en:Meat alternatives, Carnes vegetales	1
Conserves, Plats préparés, Gratins, Gratins de pomme de terre, Plats préparés en conserve, Gratins dauphinois	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Gâteaux au chocolat, Génoises en tranches fourrées	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits	3
en:green-pestos	1
Süßstoffe, Sirups, Einfache Sirupe, Agavensäfte	1
Alimentos y bebidas de origen vegetal,Alimentos de origen vegetal,Cereales y patatas,Cereales y derivados,Pastas alimenticias,Pastas de avena	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Légumes et dérivés, Légumes, Aliments pour bébé, Goûters et desserts pour bébé, Boissons pour bébé, Assortiments d'aliments, Bébés/Nourrissons -	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Desserts, Fruits et produits dérivés, Aliments pour bébé, Goûters et desserts pour bébé, Compotes, Compotes de pomme, Dès 6 mois	1
Aliments et boissons à base de végétaux, Boissons, Boissons à base de végétaux, Boissons aux fruits, Jus et nectars, Jus de fruits	1
Productos a base de carne, Embutidos, Jamón, Jamón cocido	1
Lácteos, Leches, Leche semidesnatada, Leche de vaca	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Frutas y verduras y sus productos, Conservas, Verduras y hortalizas y sus productos, Alimentos de origen vegetal en conserva, Hortalizas, Verduras y hortalizas en conserva, Remolachas, Re	1
Plats préparés, Plats à base de pâtes, Salades composées, Salades de pâtes, Salades au poulet	1
Vleesvervangers,Vleeskopieën	1
Snacks, Sweet snacks, Biscuits and cakes, Pastries, en:king-cakes	1
Boissons, Boissons alcoolisées, Bières, Lagers, Produits artisanaux, en:Country specific beers, Alcools artisanaux, Bières françaises, Bières artisanales	1
Mermeladas y confituras de melocotón	1
Snacks, Snacks sucrés, en:Sweet pastries and pies, Viennoiseries, Brioches, Pains au lait, Brioche au beurre, Surgelés	1
Condiments, Sauces	1
Dairies, Milks, Skimmed milks, Whole milks, Cow milks	1
Plant-based foods and beverages, Beverages, Plant-based beverages, Fruit-based beverages, Juices and nectars, Fruit juices, Orange juices	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Desserts, Fruits et produits dérivés, Compotes, Compotes de pomme, Compotes pommes nature	1
Snacks, Sweet snacks, Confectioneries	9
Snacks, Snacks sucrés, Cacao et dérivés, Confiseries, Aliments festifs, Confiseries chocolatées, Bonbons de chocolat, Chocolats, Aliments de Pâques, Oeufs en chocolat, Œufs de Pâques	1
Getränke, Kaffeegetränke, Eiskaffees	1
Plant-based foods and beverages, Plant-based foods, Condiments, Spices, Peppers, Groceries, en:ground-black-peppers	1
Aliments et boissons à base de végétaux, Boissons, Aliments d'origine végétale, Boissons chaudes, Cafés, Dosettes, Cafés moulus, Cafés en dosettes	1
Snacks, Snacks sucrés, Cacao et dérivés, Aliments festifs, Chocolats, Aliments de Pâques, Oeufs en chocolat, Œufs de Pâques	1
Pasti, Pizze e torte salate, Pizze	1
Viandes et dérivés, Viandes, Poulet et dérivés, Volailles, Poulets	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages à pâte pressée cuite, Fromages de vache, Emmentals, Fromages de France, Emmentals français	1
Snack, Snack dolci	3
Bebidas y preparaciones de bebidas,Bebidas,Bebidas carbonatadas,Bebidas endulzadas artificialmente,Sodas,Bebidas no alcohólicas,Bebidas con sabor,Bebidas azucaradas	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Conserves, Légumes et dérivés, Aliments à base de plantes en conserve, Légumes, Légumes en conserve, Légumes tiges, Asperges, Asperges en conser	1
Produits de la mer, Poissons et dérivés, Poissons, Poissons maigres, Filets de poissons, Préparations de poisson, Produits panés, Morues, Poissons panés, Filets de cabillaud, Filets de cabillaud panés, Poissons panés de cabillaud	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Plats préparés, Frais, Légumes préparés, Plats préparés frais, Plats préparés d'origine végétale, Céleris Rémoulade	1
Plant-based foods and beverages, Plant-based foods, Snacks, Cereals and potatoes, Salty snacks, Appetizers, Chips and fries, Crisps, Potato crisps, Potato crisps in sunflower oil	1
Snacks, Snacks salés, Amuse-gueules, Biscuits apéritifs	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages de vache, Frais, Fromages à pâte pressée non cuite, Fromages pasteurisés, Raclettes, Fromages en tranches, Fromages industriels	1
Surgelés,Plats préparés,Plats préparés surgelés,surgeles	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Matières grasses, Matières grasses végétales, Huiles	1
Plats préparés, Frais, Plats à base de semoule, Plats préparés frais, Taboulés, Taboulés orientaux, Taboulés frais, Produits décongelés	1
Produits laitiers, Produits fermentés, Desserts, Produits laitiers fermentés, Desserts lactés, Desserts lactés fermentés, Yaourts, Desserts lactés fermentés nature, Yaourts natures, Yaourts brassés, Yaourts brassés nature	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Pains, Pains de mie	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Biscuits sablés, Galettes bretonnes au beurre, Galettes bretonnes	1
Snacks, Sweet snacks, Biscuits and cakes, Cakes, Cooking helpers, Pastry helpers, Baking Mixes, Dessert mixes, Cake mixes, Pancake mixes	1
Boissons, Boissons alcoolisées, Vins, Vins français, Vins blancs, Roussette de Savoie	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages de vache, Fromages italiens, Fromages à pâte filée, Mozzarella, Fromages pasteurisés, Fromages râpés	1
Snacks, Zoete snacks, Cacao en afgeleide producten, Chocoladeproducten, Pure chocolades	1
Galettes de polenta, Polenta	1
butter	1
compotes de pommes sans sucres ajoutés	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Desserts, Fruits et produits dérivés, Compotes, Compotes de pomme, Compotes sans sucres	1
Meals, Meals with meat, Poultry meals, Meals with chicken	1
Imbiss, Süßer Snack, Popcorn, en:Popcorn with caramel, Süßes Popcorn	1
Imbiss, Salzige Snacks, Vorspeisen, Chips und Pommes Frites, Chips, Mais-Chips, en:Chips, en:Chips und Pommes Frites, en:Imbiss, en:Mais-Chips, en:Salzige Snacks, en:Vorspeisen	1
Dairies,Fermented foods,Fermented milk products,Desserts,Dairy desserts,Fermented dairy desserts,Yogurts,Greek-style yogurts	1
Snacks, Sweet snacks, Cocoa and its products, Chocolates, Dark chocolates, Chocolates with hazelnuts, Dark chocolates with hazelnuts	1
Snacks, Snacks sucrés, Cacao et dérivés, Chocolats, Chocolats blancs, Chocolats blancs au speculoos	1
Botanas, Snacks salados, Palomitas de maíz, Palomitas de maíz saladas	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Vegetables based foods, Tomatoes and their products, Tomato pulps, en:tomatoes	1
Prodotti a base di carne, Carni preparate, Prosciutti, en:cured-ham	1
Prodotti a base di carne, Carni preparate, Salami e salsicce stagionate, Salame	1
Viandes et dérivés, Charcuteries, Saucissons, Produits carnés italiens, Kits repas, Salamis	1
Dairies, Fermented foods, Desserts, Fermented milk products, Dairy desserts, Fermented dairy desserts, Yogurts	4
Plant-based foods and beverages, Plant-based foods, Snacks, Cereals and potatoes, Salty snacks, Appetizers, Chips and fries, Crisps, Potato crisps	3
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Pains, Produits artisanaux, Gressins, Gressins artisanaux	1
Prodotti a base di carne, Prodotti a base di carne italiani	1
Bebidas,Bebidas carbonatadas,Sodas,Bebidas no alcohólicas,Bebidas de cola,Bebidas azucaradas,Bebidas con sabor	1
Boissons, Sirops, Sirops aromatisés, Sirops de violette	1
Mélanges d'épices et aromates	1
Viandes et dérivés, Viandes, Poulet et dérivés, Volailles, Poulets, Ailes de poulet	1
Cibi e bevande a base vegetale, Cibi a base vegetale, Colazioni, Cereali e patate, Cereali e i loro prodotti, Cereali da colazione, Bastoncini di crusca di frumento	1
Plantebaserede fødevarer og drikkevarer, Plantebaserede fødevarer, Frugt- og grøntsagsbasere fødevarer, Frugtbaserede fødevarer, Frugt, en:Citrus, Mandarin, en:Clementines	1
Cibi e bevande a base vegetale, Cibi a base vegetale, Cereali e patate, Cereali e i loro prodotti, Pasta, Paste alimentari di cereali	1
Produits de la mer, Poissons et dérivés, Poissons, Poissons gras, Saumons, Poissons fumés, Saumons fumés	1
Produits de la mer, Poissons et dérivés, Poissons, Préparations de poisson, Surimi, en:preparations-made-from-fish-meat	2
Meals, Crêpes and galettes, Crêpes, Filled crêpes	1
en:waters	1
Snacks, Snacks sucrés, Viennoiseries, Chaussons aux pommes	1
Boissons, Boissons alcoolisées, Vins, Vins français	1
en:chocolate-covered-peanuts	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Légumineuses et dérivés, Produits à tartiner, Pâtes à tartiner végétales, Purées d'oléagineux, Beurres de légumineuses, Beurres de cacahuètes	1
Auf Fleisch basierende Lebensmittel,Fleisch,Zubereitetes Fleisch,Würste	1
Aliments et boissons à base de végétaux, Boissons, Aliments festifs, Boissons chaudes, Boissons à base de végétaux, Aliments et boissons de Noël, Thés, Infusions, Calendriers de l'avent	1
Cooking helpers, Pastry helpers	1
Żywność i napoje na bazie roślin, Żywność na bazie roślin, Zboża i ziemniaki, Chleb, en:Toasts, Chleb tostowy	1
Produits laitiers, Produits fermentés, Desserts, Produits laitiers fermentés, Desserts lactés, Desserts lactés fermentés, Desserts lactés fermentés aux fruits, Yaourts, Yaourts aux fruits	1
Produits laitiers, Produits fermentés, Desserts, Produits laitiers fermentés, Fromages, Desserts lactés, Desserts lactés fermentés, Yaourts, Quarks, Fromages blancs, Fromages à la crème	1
Boissons, Produits laitiers, Produits fermentés, Produits laitiers fermentés, Boissons lactées, Boissons fermentées, Boissons lactées fermentées, Boissons lactées fermentées au Bifidus	1
Produits laitiers, Desserts, Desserts lactés, Desserts au chocolat, Crèmes dessert, Crèmes dessert chocolat, Crèmes dessert rayon frais, Crèmes dessert chocolat réfrigérées	1
Plats préparés, Sandwichs, Sandwichs à la volaille, Réfrigérés, Wraps, Sandwichs au poulet, Plats préparés réfrigérés	1
Snacks, Desserts, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Gâteaux au chocolat	2
Viandes et dérivés, Viandes, Sandwichs, Poulet et dérivés, Volailles, Poulets, Volailles cuites, Sandwichs à la volaille, Sandwichs au poulet, Poulets cuisinés, Poulets rôtis	1
Plantaardige levensmiddelen en dranken,Plantaardige levensmiddelen,Granen en aardappels,Zaden,Granen en graanproducten,Graankorrels,Quinoa	1
Additifs alimentaires, Colorants alimentaires	1
02	1
Snack, Snack dolci, Dolci	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Frutas y verduras y sus productos, Frutas y sus productos, Frutas, Frutas tropicales, Piñas	1
Salatsoßen	1
Alimentos y bebidas de origen vegetal,Bebidas,Bebidas de origen vegetal,Bebidas a base de frutas,Zumos y néctares,Néctares de frutas,Néctares de manzana,Bebidas azucaradas,Bebidas con sabor,Bebidas no alcohólicas	1
Postres,Congelados,Postres helados,Helados y sorbetes,Helado,en:Ice cream in a box	1
Conserves, Poissons et viandes et oeufs, Foies gras, Foies gras de canard, Foies gras entiers, Foies gras de canard entiers	1
Dairies, Milks, Whole milks	1
Schafkäse	1
Getränke, Alkoholische Getränke, Weine, Weißwein	1
Pies	1
confectioneries	2
Viandes et dérivés, Produits à tartiner, Plats préparés, Viandes, Charcuteries, Produits à tartiner salés, Rillettes, Plats préparés à la viande, Rillettes de viande, Rillettes de viande blanche, Rillettes de volaille, Rillettes de canard	1
en:chips	1
Beverages, Carbonated drinks, Sodas, Sweetened beverages	1
Imbiss,Süßer Snack,Dekoration	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Frühstücke, Getreide und Kartoffeln, Getreideprodukte, Frühstückscerealien, Müslis	1
Comidas preparadas, Platos de pasta, Lasaña preparada, en:Meat lasagnas, Lasaña boloñesa	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Biscuits sablés, Biscuits-au-caramel	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Graines, Céréales et dérivés, Céréales en grains, Semoules de céréales, Semoules de blé, Semoules de blé dur, Blés, Blés tendres, Blé dur précuit entier	1
Boissons, Boissons alcoolisées, Cidres, Cidres aromatisés	1
Productos a base de carne, Carnes, Pollo y sus productos, Aves, Pollo	3
Plant-based foods and beverages,Plant-based foods,Fruits and vegetables based foods,Fruits based foods,Dried products,Dried plant-based foods,Dried fruits,Raisins,Sultana raisins	1
Snacks, Sweet snacks, Cocoa and its products, Confectioneries, Chocolate candies, Chocolates, Dark chocolates, Chocolates with almonds, Dark chocolates with almonds	1
Aliments et boissons à base de végétaux, Boissons, Boissons à base de végétaux, Boissons gazeuses, Boissons aux fruits, Boissons édulcorées, Sodas, Boissons light, Sodas aux fruits, Sodas light, Sodas à l'orange, Sodas aux fruits light, Sodas à l'orange l	1
Snacks, Desserts, Zoete snacks, Koekjes en cakes, Gebak, Baklava	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Cereales y patatas, Panes, Panes de molde	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Cereales y patatas, Panes	1
Snacks, Sweet snacks, Biscuits and cakes, Biscuits, Pastries, Toaster pastries	1
Plant-based foods and beverages,Plant-based foods,Fats,Vegetable fats,Olive tree products,Vegetable oils,Olive oils,olive oil	1
Snacks, Sweet snacks, Cocoa and its products, Confectioneries, Chocolate candies, Bonbons, Fruit confectioneries, Chocolate covered fruits	1
Latticini, Cibi fermentati, Prodotti lattiero-caseari fermentati, Formaggi, Formaggi italiani, Asiago	1
Petit-déjeuners, Produits à tartiner, Produits à tartiner sucrés, Produits de la ruche, Produits d'élevages, Édulcorants, Miels, Miels de fleurs	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, Petits beurres	1
Snacks, Sweet snacks, Biscuits and cakes, Biscuits, Petit-Beurre	1
Produits de la mer, Poissons et dérivés, Poissons, Poissons maigres, Colins, Lieu d'Alaska cru	1
en:997552-1910-TOO-04-2015	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Fruits, Fruits tropicaux, Ananas	1
Boissons, Boissons alcoolisées, Bières, en:Ales, Pale ales, Bières IPA, Produits artisanaux, Alcools artisanaux, Bières artisanales, Session IPA	1
Meals,Soups	1
Plant-based foods and beverages, Plant-based foods, Fats, Vegetable fats, Olive tree products, Vegetable oils, Olive oils	1
Beverages, Carbonated drinks, Sodas, Colas	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Cakes aux fruits	3
Snacks, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Cakes aux fruits, Cake chocolat	1
Aides culinaires, Préparations pour desserts, Préparations pour flans	1
Aliments et boissons à base de végétaux,Aliments d'origine végétale,Céréales et pommes de terre,Céréales et dérivés,Farines,Farines de céréales,Farines de blé,Farines de blé type T55	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Eingelegte Lebensmittel, Olivenbaumprodukte, Pflanzliches eingelegtes Pflanze, Oliven, Grüne Oliven	1
Alimentos y bebidas de origen vegetal, Alimentos de origen vegetal, Cereales y patatas, Semillas, Cereales y derivados, Cereales en grano, Arroces, Arroces aromáticos, Arroces de la variedad índica, Arroces de grano largo, Arroces Basmati	1
Siropes	1
Breakfasts, Spreads, Sweet spreads, fr:Pâtes à tartiner, Hazelnut spreads, Chocolate spreads, Cocoa and hazelnuts spreads	1
Plant-based foods and beverages, Plant-based foods, Fruits and vegetables based foods, Fruits based foods, Fruits, Citrus, Oranges	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Surgelés, Fromages de France, Neufchâtel	1
Laticínios,Alimentos Fermentados,Produtos lácteos fermentados,Queijos,Queijos italianos,en:Stretched-curd cheeses,Queijos de búfalo,Queijos frescos,Mozzarella,en:Buffalo mozzarella	1
Dairies,Fermented foods,Fermented milk products,Cheeses,Italian cheeses,Parmigiano-Reggiano,Kazen	1
Dairies, Fermented foods, Fermented milk products, Cheeses, String cheeses	2
Snacks, Sweet snacks, Cocoa and its products, Chocolates, Dark chocolates	1
Viandes et dérivés, Viandes, Charcuteries, Saucissons, Saucissons secs, Saucissons secs au fromage	1
Aliments pour bébé, Laits pour bébé	1
Beverages, Energy drinks	1
Desserts, Surgelés, Desserts glacés, Glaces et sorbets, Glaces, Cônes glacés	1
Sirop de chocolat	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads, Sliced breads, de:Weizenmischbrote, en:white-breads	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Getreide und Kartoffeln, Brote, Geschnittenes Brot, Mischbrote	1
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Groats, Wheat groats, Bulgur	2
Dietary supplements, Bodybuilding supplements, Hardcore Booster	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Céréales et dérivés, Pâtes alimentaires, Pâtes alimentaires de céréales, Pâtes de blé dur	1
Chocolate coated biscuits	1
Plant-based foods and beverages,Plant-based foods,Fats,Vegetable fats,Olive tree products,Vegetable oils,Olive oils,Olive oils from Spain,Extra-virgin olive oils,Virgin olive oils	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Teigwaren, Linguine	1
Plant-based foods and beverages, Plant-based foods, Seeds	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Graines, Céréales et dérivés, Céréales en grains, Quinoa	1
Produits laitiers, Produits fermentés, Produits laitiers fermentés, Fromages, Fromages italiens, Fromages à la crème, Mascarpone	1
Snacks, Snacks sucrés, Confiseries, Bonbons, Bonbons à la menthe	1
Imbiss, Süßer Snack, Kekse und Kuchen, Kuchen, Baumkuchen	1
Viandes et dérivés, Viandes, Charcuteries, Saucissons, Saucissons secs, Saucissons secs pur porc	2
Snacks, Desserts, Snacks sucrés, Biscuits et gâteaux, Crêpes et galettes, Gâteaux, Aides culinaires, Crêpes, Aides à la pâtisserie, en:Baking Mixes, Préparations pour desserts, Préparations pour gâteaux, Pâte à crêpe	1
Gustări, Gustări dulci, Biscuiți și prăjituri, Biscuiți, Cookies, GULLON	1
Snacks, Snacks sucrés, Biscuits et gâteaux, Biscuits, en:Biscuits et gâteaux, en:Biscuits sans gluten, en:Snacks sucrés	1
Meats and their products, Meats, Chicken and its products, Poultries, Chickens, Chicken thighs	1
Landwirtschaftliche Produkte, Vogeleier, Frische Eier, Bio-Eier	1
Pflanzliche Lebensmittel und Getränke, Getränke, Pflanzliche Lebensmittel, Getreide und Kartoffeln, en:Dairy substitutes, Getreideprodukte, Milchersatz, Pflanzliche Getränke, Pflanzenmilch, Getreidemilch, Hafermilch	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Brühen, Gemüsebrühen, en:groceries	1
Pflanzliche Lebensmittel und Getränke, Pflanzliche Lebensmittel, Frucht- und gemüsebasierte Lebensmittel, Fruchtbasierte Lebensmittel, Früchte, Beeren, Heidelbeeren	1
Dairies, Fermented foods, Desserts, Fermented milk products, Dairy desserts, Fermented dairy desserts, Yogurts, Cow milk yogurts	1
Fruchtjoghurt	1
Plant-based foods and beverages, Beverages, Plant-based beverages, Fruit-based beverages, Juices and nectars, Fruit juices, Fruit juices from concentrate, Grape juices, Grape juices from concentrate	1
Beverages, Fermented foods, Fermented drinks, Tea-based beverages, Kombuchas	1
Seafood, Fishes and their products, Canned foods, Fishes, Fatty fishes, Canned fishes, Tunas, Canned tunas	2
Plant-based foods and beverages, Plant-based foods	1
Plant-based foods and beverages, Plant-based foods, Condiments, Spreads, Plant-based spreads, Salted spreads, Sauces, Dips, Hummus, Classic hummus	1
Asdsadsad	1
es:Chocolate y avena sin azúcares añadidos, en:oat-milks	1
Zumos de naranja con pulpa	1
Snacks, Snacks sucrés, Cacao et dérivés, Confiseries, Confiseries chocolatées, Bonbons de chocolat, Assortiments de bonbons de chocolat	2
Snacks,Sweet snacks,Confectioneries,Nougats	1
Boissons, Boissons gazeuses, Sodas	1
Imbiss, Süßer Snack, Kekse und Kuchen, Kekse, Gebäck, Waffeln	1
Dairies, Fermented foods, Fermented milk products, Cheeses, Cow cheeses, Cheeses from the United Kingdom, Cheeses from England, Cheddar cheese	1
Desayunos, Untables, Untables dulces, fr:Pâtes à tartiner, Cremas a base de avellanas, Cremas de chocolate, Cremas de cacao y avellanas	1
Pflanzliche Lebensmittel und Getränke,Pflanzliche Lebensmittel,Konserven,Konserven-Produkte auf pflanzlicher Basis,Dosenfrüchte,Mandarinen-Konserve	1
Dairies, Fermented foods, Fermented milk products, Cheeses, Italian cheeses, Stretched-curd cheeses, Grated cheese, Grated Mozzarella	1
Beverages, Carbonated drinks, Waters, Sodas	1
Plant-based foods and beverages, Plant-based foods, Canned foods, Fruits and vegetables based foods, Canned plant-based foods, Vegetables based foods, Canned vegetables, Tomatoes and their products, Tomatoes, Canned tomatoes	2
Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads, White breads	1
Condimentos, Molhos, en:Pestos	1
Syrop	1
Canned foods, es:Enlatados, en:canned-vegetables	1
en:Meat alternatives, en:Meat analogues, en:Fish analogues	1
en:baby-milks	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Desserts, Aliments à base de fruits et de légumes, Fruits et produits dérivés, Compotes	1
Lácteos, Comidas fermentadas, Productos fermentados de la leche, Untables, Quesos, Untables salados, Quesos para untar, Quesos cremosos	1
Snacks, Sweet snacks, Biscuits and cakes, Biscuits, Shortbread cookies, Shortbread	1
Breakfasts, Spreads, Sweet spreads, Bee products, Farming products, Sweeteners, Honeys, Honey-based preparations	1
Kräuter,Gefrorene Gewürzpflanzen,Tiefkühl-kräuter,en:groceries	1
Produits de la mer, Poissons et dérivés, Poissons, Poissons gras, Poissons fumés, Truites, Truites d'élevage, Truite d'élevage fumée, Truites fumées, Truites fumées élevées en France	1
Imbiss, Salzige Snacks, Erdnussflips	1
Milchprodukte, Milch, Homogenisierte Milch, Teilentrahmte Milch, Frischmilch, Länger haltbare Frischmilch	1
Beverages, Alcoholic beverages, Distilled beverages, Hard liquors, Eaux de vie, Whisky, American whiskeys, Tennessee whiskey	1
Aliments et boissons à base de végétaux, Boissons, Aliments d'origine végétale, Boissons chaudes, Cafés, Dosettes, Cafés en dosettes, Cafés en dosettes compatible Nespresso	1
Plant-based foods and beverages, Plant-based foods, Legumes and their products, Meat alternatives, Tofu	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Petit-déjeuners, Produits à tartiner, Pâtes à tartiner végétales, Produits à tartiner sucrés, Confitures et marmelades, Confitures, Confitures d'agrumes, Confitures d'orange	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Alternatives à la viande, Substituts de viande, Galettes végétariennes	1
Breakfasts,Spreads,Sweet spreads,fr:Pâtes à tartiner,Chocolate spreads	1
Viandes et dérivés, Viandes, Charcuteries, Charcuteries diverses, Grattons, Grattons de canard	1
Konserven	1
Plant-based foods and beverages, Plant-based foods, Legumes and their products, Canned foods, Legumes, Seeds, Canned plant-based foods, Legume seeds, Pulses, Common beans, Canned legumes, Red beans, Canned common beans	1
Seafood, Fishes and their products, Canned foods, Fishes, Canned fishes	1
Aliments et boissons à base de végétaux, Aliments d'origine végétale, Céréales et pommes de terre, Céréales et dérivés, Galettes de céréales soufflées, Galettes de riz soufflé	1

Product	Brand	Category	Compounds Matched from Ingredients	Date Retrieved
		Other	riboflavin,niacin	2024-02-13
Asiago & parmesan shredded cheese		Dairies, Fermented foods, Fermented milk products, Cheeses	natamycin	2024-02-12
Bacon & cornbread crisps		Snacks	niacin,riboflavin	2024-02-12
Beef & cheese mini tacos		Frozen foods	annatto	2024-02-12
Black forest ham pinwheels premium meats & cheeses		Sandwiches	sodium nitrite	2024-02-12
Boneless pork loin chops		Meats and their products, Meats	potassium chloride	2024-02-12
Bramley Apple Crumble		Other	niacin	2024-02-10
Bramley Appple pies		Other	niacin	2024-02-14
Breaded clam strips		Seafood, Frozen foods, Frozen seafood	sodium bicarbonate	2024-02-12
Chia tea		Beverages	rebaudioside a	2024-02-12
Chicken cordon bleu		Frozen foods	sodium nitrite	2024-02-12
Decorated cookie		Snacks, Sweet snacks, Biscuits and cakes, Biscuits	niacin,riboflavin	2024-02-11
Deluxe shell macaroni		Meals, Pasta dishes	riboflavin,niacin	2024-02-12
Doritos Cool Ranch Flavored Tortilla Chips 3.375 Ounce Plastic Bag		Snacks	Lactose	2024-02-12
Enriched egg noodle product, extra wide egg noodles		Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Pastas, Noodles	niacin,riboflavin	2024-02-12
Fully cooked corned beef		Canned foods, Meats and their products, Meats, Canned meats	sodium nitrite	2024-02-12
Ginger ale		Beverages, Carbonated drinks, Sodas	sodium benzoate	2024-02-12
Glaceau fruit water, sparkling zero calorie water, fizzy lemonade		Beverages, Waters	magnesium sulfate	2024-02-12
Glaceau vitaminwater, zero calories energy drink, acai-blueberry pomegranate, acai-blueberry pomegra		Other	malic acid	2024-02-12
Hazelnut cappuccino mix single serve cups, hazelnut		Plant-based foods and beverages, Plant-based foods, Coffees	acesulfame potassium	2024-02-12
Just cbd hemp infused gummies		Other	lactic acid	2024-02-13
Lean cured white turkey		Meats and their products, Meats, Prepared meats	sodium lactate,sodium nitrite	2024-02-12
Lean muscle protein powder, chocolate		Beverages	taurine,lactoferrin	2024-02-12
Light ranch salad dressing, light ranch		Condiments, Sauces, Groceries	phosphoric acid	2024-02-11
Natural rehydration drink		Beverages	potassium citrate	2024-02-12
Naturally flavored lemon lime diet soda, lemon lime		Beverages, Carbonated drinks, Sodas	potassium citrate	2024-02-12
Original cola		Beverages, Carbonated drinks, Sodas	phosphoric acid,caffeine	2024-02-12
Original nutrition shake		Beverages	potassium citrate	2024-02-12
Otis spunkmye		Other	niacin	2024-02-13
Pecans & honey caramel covered in milk chocolate, pecans & honey caramel		Snacks, Sweet snacks, Cocoa and its products, Confectioneries, Chocolate candies	invert sugar,vanillin	2024-02-12
Pork gravy		Condiments, Dried products, Dried products to be rehydrated, Sauces, Dehydrated sauces, Groceries	niacin	2024-02-12
Pumpkin - filled flatbread		Other	sodium bicarbonate	2024-02-12
Rainbow Collin the caterpillar		Other	malic acid	2024-02-13
Rice mix		Meals, Rice dishes	niacin,niacin,riboflavin	2024-02-11
Six cheese classic italian style pizza		Meals, Pizzas pies and quiches, Pizzas	beta carotene,riboflavin,niacin	2024-02-11
Small batch tender style pork cracklins		Snacks	acetic acid	2024-02-12
Smoked gouda & riesling chicken sausages links, smoked gouda & riesling		Meats and their products, Meats, Prepared meats, Sausages	annatto	2024-02-12
Special recipe rolls		Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads	niacin,riboflavin	2024-08-22
St. Louis Style Pizza		Meals, Pizzas pies and quiches, Pizzas	niacin,riboflavin	2024-02-11
Strawberry quick smoothie mix		Beverages, Dried products, Dried products to be rehydrated, Dehydrated beverages	malic acid	2024-02-12
Taquitos beef with cheese		Frozen foods	riboflavin,niacin	2024-02-11
thai coconut rice		Other	niacin	2024-02-14
Traditional rice pudding		Desserts	sodium benzoate,ethyl vanillin,propylene glycol,vanillin	2024-02-12
Turkey breast		Meats and their products, Meats, Prepared meats	sodium nitrite	2024-02-12
Waffles, blueberry		Other	niacin	2024-02-12
Whole grain toasted oats, whole grain		Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products	niacinamide,tocopherols	2024-02-12
Zero cal sparkling water		Beverages, Waters	potassium citrate	2024-02-12
Anthon Berg	Anthon Berg	Other	lactose	2024-02-14
Auchan knacks 2x10 700g 2e -50	Auchan	Other	lactose	2024-04-02
Granola energy chewy bars, coconut apricot	Awake Energy Granola	Snacks	invert sugar	2024-02-09
Banana Quick Bread & Muffin Mix	Baker's Corner	Other	sodium bicarbonate,riboflavin,niacin	2024-02-13
Fiesta!, Cola	Bashas' Markets	Beverages, Carbonated drinks, Sodas	caffeine,phosphoric acid	2024-02-09
Sumer's, Iced Tea & Lemonade	Bay Valley Foods Llc	Beverages, Carbonated drinks, Sodas, Tea-based beverages, Iced teas, Lemonade, Iced teas with lemonade	tricalcium phosphate	2024-02-09
Merendina	Bimo	Snacks, Snacks sucrés, Biscuits et gâteaux, Gâteaux, Gâteaux au chocolat, Génoises en tranches fourrées	sorbitol	2024-02-11
Spaghetti	Botticelli	Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Cereals and their products, Pastas, Spaghetti	riboflavin,niacin	2024-02-09
Buddig, ham deli slices	Buddig, Carl Buddig & Company	Meats and their products, Meats, Prepared meats	sodium nitrite	2024-02-09
Roussette de Savoie	Cellier Savoyard	Boissons, Boissons alcoolisées, Vins, Vins français, Vins blancs, Roussette de Savoie	sulfites	2024-02-10
Filled Crepes	Crepini	Meals, Crêpes and galettes, Crêpes, Filled crêpes	riboflavin,niacin	2024-02-09
Strawberry Banana Lowfat Yogurt	Dannon	Dairies, Fermented foods, Desserts, Fermented milk products, Dairy desserts, Fermented dairy desserts, Yogurts	malic acid,calcium citrate,beta carotene	2024-08-22
Danimals Squeezables Cotton Candy Lowfat Yogurt	Dannon,The Dannon Company Inc.	Dairies, Fermented foods, Desserts, Fermented milk products, Dairy desserts, Fermented dairy desserts, Yogurts	calcium citrate	2024-08-22
Vegetable Enchilada Snack Size Burrito Bowl	Delimex	Frozen foods	niacin	2024-02-09
Strawberry frosted toaster pastries, strawberry	Essential Everyday	Snacks, Sweet snacks, Biscuits and cakes, Biscuits, Pastries, Toaster pastries	niacin,riboflavin	2024-02-09
Fancypants Baking Co, S'Mores Crunch! Cookies	Fancypants Baking Co.	Snacks, Sweet snacks, Biscuits and cakes, Biscuits	riboflavin,niacin	2024-02-09
Wheat Thinables	Fibergourmet	Snacks, Sweet snacks, Biscuits and cakes	ammonium bicarbonate	2024-02-09
Drink	Fiesta	Beverages	acesulfame potassium	2024-02-09
Sliders Mini Cheeseburgers	Food Lion	Frozen foods	niacin,riboflavin	2024-02-09
Food lion, celebration chocolate cupcakes	Food Lion, Food Town Stores Inc.	Snacks, Sweet snacks, Biscuits and cakes, Cakes	riboflavin,niacin	2024-02-09
Food lion, ice cream & sherbet, vanilla orange swirl	Food Lion, Food Town Stores Inc.	Desserts, Frozen foods, Frozen desserts	annatto	2024-02-09
Sriracha Sauce	Food Town Stores Inc.	Condiments, Sauces, Groceries	sodium benzoate	2024-02-09
Fresh gourmet, lightly salted crispy onions	Fresh Gourmet	Condiments, Sauces, Groceries	niacin,riboflavin	2024-02-09
Garden herb premium croutons	Fresh Gourmet	Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads	niacin,riboflavin	2024-08-22
Les mini bûchettes - fromage de chèvre	Galibier	Viandes et dérivés, Viandes, Charcuteries, Saucissons, Saucissons secs, Saucissons secs au fromage	LACTOSE	2024-02-12
Smart Water	Glaceau	Beverages, Waters	Ozone,Potassium bicarbonate	2024-05-01
Triple X	Goldstar Supplements	Dietary supplements, Bodybuilding supplements, Hardcore Booster	Erythritol	2024-02-09
Hot Dog Enriched Buns	H E B	Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads	SUN,RIBOFLAVIN	2024-08-22
Croutons, Cheese & Garlic	H-E-B	Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads	niacin,riboflavin	2024-08-22
Tuscan Rice & Beans	H.E.B	Meals, Rice dishes	niacin	2024-02-09
Sharp Cheddar Cheese	Happy Farms,Aldi	Dairies, Fermented foods, Fermented milk products, Cheeses, Cow cheeses, Cheeses from the United Kingdom, Cheeses from England, Cheddar cheese	ANNATTO	2024-06-22
Fat Free Shredded Mozzarella	HEB	Dairies, Fermented foods, Fermented milk products, Cheeses, Italian cheeses, Stretched-curd cheeses, Grated cheese, Grated Mozzarella	calcium sulfate	2024-02-12
Chocolate Covered Hazelnut Wafers	Josef Manner & Comp. Ag A	Snacks, Sweet snacks, Biscuits and cakes, Biscuits	lactose,sodium bicarbonate	2024-02-09
Sugar-Free Cookies	Joseph's	Other	maltitol	2024-02-09
Ovesný dezert	Kalma	Plant-based foods and beverages,Dairy substitutes,Desserts,Non-dairy desserts	agar	2024-04-02
Kings, traditional italian almond biscotti	Kings, Kings Super Markets Inc	Snacks, Sweet snacks, Biscuits and cakes	riboflavin,sodium bicarbonate,niacin	2024-02-09
Rindsbouillon granulat	Knorr	Produits déshydratés, Produits lyophilisés à reconstituer, Bouillons, Bouillons déshydratés, Bouillons de bœuf	LACTOSE	2024-02-10
Koppers chocolate, milk chocolate marshmallow s'mores	Koppers Chocolate	Snacks, Sweet snacks, Confectioneries	niacin	2024-02-09
Coffee Creamer	Lucerne Farms	Plant-based foods and beverages, Dairy substitutes, Milk substitutes, Creamer	titanium dioxide	2024-02-09
Roasted Peppers With Garlic	Marco Polo	Salted snacks	acetic acid	2024-02-09
Flavored sparkling water, key lime	Meijer	Beverages, Waters	acesulfame potassium,potassium citrate	2024-02-09
Saucisse Sèche Pur Porc Fabriquée Dans Le Tarn	Milhau	Viandes et dérivés, Viandes, Charcuteries, Saucissons, Saucissons secs, Saucissons secs pur porc	LACTOSE	2024-02-10
Cheese and Onion pastries	Morrisons	Pastries	Egg white	2024-04-07
Mexican rice	Morrisons	Other	curcumin	2024-02-11
Soda	Mtn Dew	Beverages, Carbonated drinks, Sodas	caffeine,sodium benzoate	2024-02-09
Maple Cookies	Muji	Snacks, Sweet snacks, Biscuits and cakes, Biscuits	Fumaric Acid	2024-02-13
Built From The Crust Up, Cheese Pizza, Pan Baked	Our Old Italian Brand	Other	niacin,riboflavin,fumaric acid,calcium propionate	2024-02-09
Super blends Shine	Pickwick	Plant-based foods and beverages, Beverages, Hot beverages, Plant-based beverages, Herbal teas, Herbal tea blends	biotin	2024-02-13
Rising crust pizza	Raley's	Meals, Pizzas pies and quiches, Pizzas	sodium bicarbonate	2024-02-09
Melt in the middle cod fish cakes	Specially Selected, Aldi	Seafood, Fishes, Fish preparations	Niacin	2024-06-05
Original naan rounds naans	Stonefire	Plant-based foods and beverages, Plant-based foods, Cereals and potatoes, Breads	riboflavin,niacin	2024-08-24
Sweets, Lemon Sours	Sweet Candy Company	Snacks, Sweet snacks, Confectioneries	malic acid	2024-02-09
Koffee kake yellow layer cakes with crumb topping	Tastykake	Snacks, Sweet snacks, Biscuits and cakes, Cakes	niacin,riboflavin	2024-02-09
Coconut juniors	Tastykake, Tasty Baking Company	Snacks, Sweet snacks, Biscuits and cakes, Cakes	niacin,riboflavin	2024-02-09
Smoothie Max	The Dannon Company Inc.	Other	agar,malic acid	2024-02-09
Looka Patisserie, Macaron Pistachio	The French Patisserie Inc.	Snacks, Desserts, Sweet snacks, Biscuits and cakes, Pastries, Macarons	egg white	2024-02-09
Sourdough Grilled Cheese Jalapeño With Gruyere & Mozzarella	The Grilled Cheese People	Other	niacin,riboflavin	2024-09-11
Hawaiian Style Rice & Vegetable Blend	The Perfect Bite Co.	Other	acetic acid	2024-02-09
Fire- Brewed Root Beer	Thunder Beast	Other	sodium benzoate	2024-02-09
Brown Sugar Non-Dairy Oat Creamer	Trader Joe's	Plant-based foods and beverages, Dairy substitutes, Milk substitutes, Creamer, Non-dairy-creamers, Oat-creamers	POTASSIUM CITRATE,SODIUM BICARBONATE	2024-02-13
Sierra mist soda	TWST	Beverages, Carbonated drinks, Sodas	potassium citrate	2024-02-09
Vitamin water	Vitaminwater,Glaceau Vitaminwater,Glaceau	Beverages, Waters, Artificially sweetened beverages, Flavored waters, Unsweetened beverages, Unsweetened flavored waters	erythritol,calcium pantothenate	2024-02-13
Ndjula sausage ravioli	Waitrose	Meals, Pasta dishes, Stuffed pastas, Ravioli	niacin	2024-08-10
Pepperoni Pizza	Waitrose	Meals, Pizzas pies and quiches, Pizzas, Pepperoni pizzas	niacin	2024-09-18
Wilton, icing decorations	Wilton, Wilton Enterprises Inc	Baking decorations	sodium benzoate	2024-02-09
Common Ground NUE Aqua Micellar Water -- 8.4 fl oz	Common Ground	Beauty & Personal Care	citric acid, citric acid, disodium edta, glycerin, phosphoric acid, propylene glycol, sodium benzoate, sodium sulfite	2024-11-29 10:47:42
Fruitables BioActive® Complete Joint Care Dog Treats -- 6 oz	Fruitables	Pet Supplies	calcium carbonate, max, phosphoric acid	2024-11-29 10:47:42
Health Direct Ready Fiber -- 15 fl oz	Health Direct	Vitamins & Supplements	glycerin, phosphoric acid, Sugar	2024-11-29 10:47:42
My Cookie Dealer Protein Cookies Milk & Cookies -- 12 Cookies	My Cookie Dealer	Active Lifestyle & Fitness	folic acid, invert sugar, niacin, phosphoric acid, vitamin B2, baking soda, sugar	2024-11-29 10:47:42
Pet Greens Cat Craves Semi-Moist Cat Treats Chicken -- 3 oz	Pet Greens	Pet Supplies	phosphoric acid	2024-11-29 10:47:42
Pet Greens Cat Craves Semi-Moist Cat Treats Salmon -- 3 oz	Pet Greens	Pet Supplies	phosphoric acid	2024-11-29 10:47:42
Pet Greens Cat Craves Semi-Moist Cat Treats Tuna -- 3 oz	Pet Greens	Pet Supplies	phosphoric acid	2024-11-29 10:47:42
Pet Greens Cat Craves Semi-Moist Cat Treats Turkey & Duck -- 3 oz	Pet Greens	Pet Supplies	phosphoric acid	2024-11-29 10:47:42
The Honest Company Extreme Length Mascara + Lash Primer -- 0.07 oz	The Honest Company	Beauty & Personal Care	caprylyl glycol, cellulose, cetearyl alcohol, cetyl palmitate, tocopherol, ethylhexylglycerin, tocopherol, glyceryl stearate, glycerin, glyceryl behenate, phosphoric acid, sodium benzoate	2024-11-29 10:47:42
Trace Minerals Research Liquid Cal/Mag/Zinc Natural Strawberry -- 32 fl oz	Trace Minerals Research	Vitamins & Supplements	citric acid, Boron, Calcium Citrate, Chloride, Vitamin D3, citric acid, Glycerol, Magnesium Citrate, phosphoric acid, Phosphorus, Tri-Calcium phosphate	2024-11-29 10:47:42
Wellness Rewarding Life Soft Training Rewards Lamb & Salmon Recipe For Dogs -- 6 oz	Wellness	Pet Supplies	max, phosphoric acid, sorbic acid	2024-11-29 10:47:42
Wild Harvest Grain Free Turkey, Sweet Potato & Cranberry Recipe Mini Jerky Dog Treats -- 6 oz	Wild Harvest	Pet Supplies	kelp, copper sulfate, Vitamin E, Vitamin E, glycerin, phosphoric acid, potassium chloride, sodium selenite, sorbic acid, sugar, zinc sulfate	2024-11-29 10:47:42

Role	Description
solvent	A liquid that can dissolve other substances (solutes) without any change in their chemical composition.
human metabolite	Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
algal metabolite	Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
fertilizer	A fertilizer is any substance that is added to soil or water to assist the growth of plants.
NMR chemical shift reference compound	Any compound that produces a peak used to reference an NMR spectrum during data pre-processing.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Class	Description
phosphoric acids	Compounds containing one or more phosphoric acid units.
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Pathway	Proteins	Compounds
Selenoamino Acid Metabolism	12	26
Nicotinate and Nicotinamide Metabolism	14	34
Pyrimidine Metabolism	23	53
Urea Cycle	13	25
Arginine and Proline Metabolism	20	47
Glutamate Metabolism	22	44
Purine Metabolism	37	66
Glutathione Metabolism	11	21
Cysteine Metabolism	9	23
Glycolysis	14	23
Pyruvate Metabolism	21	39
Gluconeogenesis	22	32
Propanoate Metabolism	18	37
Ammonia Recycling	12	27
Fructose and Mannose Degradation	18	30
Glycerol Phosphate Shuttle	3	9
Inositol Metabolism	22	26
Lactose Synthesis	10	15
Vitamin B6 Metabolism	5	15
4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency	22	44
Homocarnosinosis	22	44
Hyperinsulinism-Hyperammonemia Syndrome	22	44
Glutathione Synthetase Deficiency	11	21
5-Oxoprolinuria	11	21
Adenosine Deaminase Deficiency	37	66
Adenylosuccinate Lyase Deficiency	37	66
Gout or Kelley-Seegmiller Syndrome	37	66
Lesch-Nyhan Syndrome (LNS)	37	66
Molybdenum Cofactor Deficiency	37	66
Xanthine Dehydrogenase Deficiency (Xanthinuria)	37	66
Purine Nucleoside Phosphorylase Deficiency	37	66
AICA-Ribosiduria	37	66
Prolidase Deficiency (PD)	20	47
Arginine: Glycine Amidinotransferase Deficiency (AGAT Deficiency)	20	47
Hyperprolinemia Type II	20	47
Hyperprolinemia Type I	20	47
Prolinemia Type II	20	47
Guanidinoacetate Methyltransferase Deficiency (GAMT Deficiency)	20	47
Ornithine Aminotransferase Deficiency (OAT Deficiency)	20	47
gamma-Glutamyltransferase Deficiency	11	21
Leigh Syndrome	21	39
Pyruvate Decarboxylase E1 Component Deficiency (PDHE1 Deficiency)	21	39
Pyruvate Dehydrogenase Complex Deficiency	21	39
Inositol Phosphate Metabolism	14	23
Argininemia	13	25
Argininosuccinic Aciduria	13	25
Citrullinemia Type I	13	25
Ornithine Transcarbamylase Deficiency (OTC Deficiency)	13	25
beta-Ureidopropionase Deficiency	23	53
UMP Synthase Deficiency (Orotic Aciduria)	23	53
Dihydropyrimidinase Deficiency	23	53
MNGIE (Mitochondrial Neurogastrointestinal Encephalopathy)	23	53
Carbamoyl Phosphate Synthetase Deficiency	13	25
Glycogen Storage Disease Type 1A (GSD1A) or Von Gierke Disease	22	32
Malonic Aciduria	18	37
Methylmalonic Aciduria Due to Cobalamin-Related Disorders	18	37
2-Hydroxyglutric Aciduria (D and L Form)	22	44
Azathioprine Action Pathway	47	82
Mercaptopurine Action Pathway	47	80
Thioguanine Action Pathway	47	81
beta-Mercaptolactate-Cysteine Disulfiduria	9	23
5-Oxoprolinase Deficiency	11	21
gamma-Glutamyltranspeptidase Deficiency	11	21
Malonyl-CoA Decarboxylase Deficiency	18	37
Hypophosphatasia	5	15
Creatine Deficiency, Guanidinoacetate Methyltransferase Deficiency	20	47
Hyperornithinemia with Gyrate Atrophy (HOGA)	20	47
Hyperornithinemia-Hyperammonemia-Homocitrullinuria [HHH-syndrome]	20	47
L-Arginine:Glycine Amidinotransferase Deficiency	20	47
Xanthinuria Type I	37	66
Xanthinuria Type II	37	66
Glycogenosis, Type VII. Tarui Disease	14	23
Adenine Phosphoribosyltransferase Deficiency (APRT)	37	66
Mitochondrial DNA Depletion Syndrome-3	37	66
Myoadenylate Deaminase Deficiency	37	66
Primary Hyperoxaluria II, PH2	21	39
Pyruvate Kinase Deficiency	21	39
Phosphoenolpyruvate Carboxykinase Deficiency 1 (PEPCK1)	22	32
Fructosuria	18	30
Fructose-1,6-diphosphatase Deficiency	22	32
Triosephosphate Isomerase Deficiency	22	32
Succinic Semialdehyde Dehydrogenase Deficiency	22	44
Fanconi-Bickel Syndrome	14	23
Glycogenosis, Type IB	22	32
Glycogenosis, Type IC	22	32
Congenital Disorder of Glycosylation CDG-IId	10	15
GLUT-1 Deficiency Syndrome	10	15
Glycogenosis, Type IA. Von Gierke Disease	22	32
Warburg Effect	46	52
Cystinosis, Ocular Nonnephropathic	9	23
Fructose Intolerance, Hereditary	18	30
Glycolysis I	10	23
Ethanol Fermentation	15	27
Nicotinate and Nicotinamide metabolism ( Nicotinate and Nicotinamide metabolism )	22	25
N-Ribosyl-nicotinamide + Orthophosphate = Nicotinamide + D-Ribose 1-phosphate ( Nicotinate and Nicotinamide metabolism )	1	3
Nicotinate D-ribonucleoside + Orthophosphate = Nicotinic acid + D-Ribose 1-phosphate ( Nicotinate and Nicotinamide metabolism )	1	3
Mitochondrial DNA Depletion Syndrome	35	66
Alanine,Aspartic acid and Asparagine metabolism ( Alanine,Aspartic acid and Asparagine metabolism )	22	37
ATP + Pyruvic acid + CO2 + H2O = ADP + Oxaloacetic acid + Orthophosphate ( Alanine,Aspartic acid and Asparagine metabolism )	1	7
Aminosugars metabolism ( Aminosugars metabolism )	15	29
Arginine and Proline metabolism ( Arginine and Proline metabolism )	42	55
ATP + L-Glutamic acid + NH3 = ADP + L-Glutamine + Orthophosphate ( Glutamic acid and Glutamine metabolism )	1	6
Citrate cycle ( Citrate cycle )	21	29
CoA + GTP + Succinic acid = Succinyl-CoA + GDP + Orthophosphate ( Citrate cycle )	2	6
CoA + ATP + Succinic acid = Succinyl-CoA + ADP + Orthophosphate ( Citrate cycle )	1	6
ATP + Pyruvic acid + CO2 + H2O = ADP + Oxaloacetic acid + Orthophosphate ( Glycolysis and Gluconeogenesis )	1	7
ATP + CoA + Citric acid = ADP + Acetyl-CoA + Oxaloacetic acid + Orthophosphate ( Lysine degradation )	1	7
Folate metabolism ( Folate metabolism )	20	39
Fructose and Mannose metabolism ( Fructose and Mannose metabolism )	25	27
Glutamic acid and Glutamine metabolism ( Glutamic acid and Glutamine metabolism )	19	26
Glycine and Serine metabolism ( Glycine and Serine metabolism )	36	49
Glycolysis and Gluconeogenesis ( Glycolysis and Gluconeogenesis )	27	18
NADH + 1,3-Bisphospho-D-glyceric acid = NAD+ + D-Glyceraldehyde 3-phosphate + Orthophosphate ( Glycolysis and Gluconeogenesis )	2	5
Inositol phosphate metabolism ( Inositol phosphate metabolism )	42	18
Methionine and Cysteine metabolism ( Methionine and Cysteine metabolism )	23	42
Pentose phosphate cycle ( Pentose phosphate cycle )	22	25
Propanoate metabolism ( Propanoate metabolism )	22	22
Purine nucleotides and Nucleosides metabolism ( Purine nucleotides and Nucleosides metabolism )	105	77
Adenosine + Orthophosphate = Adenine + D-Ribose 1-phosphate ( Purine nucleotides and Nucleosides metabolism )	1	3
Inosine + Orthophosphate = Hypoxanthine + D-Ribose 1-phosphate ( Purine nucleotides and Nucleosides metabolism )	1	3
Deoxy-adenosine + Orthophosphate = 2-Deoxy-D-ribose 1-phosphate + Adenine ( Purine nucleotides and Nucleosides metabolism )	1	4
Deoxy-inosine + Orthophosphate = 2-Deoxy-D-ribose 1-phosphate + Hypoxanthine ( Purine nucleotides and Nucleosides metabolism )	1	4
Xanthosine + Orthophosphate = Xanthine + D-Ribose 1-phosphate ( Purine nucleotides and Nucleosides metabolism )	1	3
Guanosine + Orthophosphate = Guanine + D-Ribose 1-phosphate ( Purine nucleotides and Nucleosides metabolism )	1	3
Deoxy-guanosine + Orthophosphate = 2-Deoxy-D-ribose 1-phosphate + Guanine ( Purine nucleotides and Nucleosides metabolism )	1	4
Pyrimidine Nucleotides and Nucleosides metabolism ( Pyrimidine Nucleotides and Nucleosides metabolism )	45	49
Uridine + Orthophosphate = Uracil + D-Ribose 1-phosphate ( Pyrimidine Nucleotides and Nucleosides metabolism )	1	3
Deoxy-uridine + Orthophosphate = 2-Deoxy-D-ribose 1-phosphate + Uracil ( Pyrimidine Nucleotides and Nucleosides metabolism )	1	4
Thymidine + Orthophosphate = 2-Deoxy-D-ribose 1-phosphate + Thymine ( Pyrimidine Nucleotides and Nucleosides metabolism )	1	4
Pyruvate metabolism ( Pyruvate metabolism )	30	27
Tryptophan degradation ( Tryptophan degradation )	64	54
Valine,Leucine and Isoleucine degradation ( Valine,Leucine and Isoleucine degradation )	29	36
1q21.1 copy number variation syndrome	0	7
Metabolic Epileptic Disorders	25	89
fatty acid biosynthesis -- elongase pathway	0	12
mannogen metabolism	2	7
superpathway of sterol biosynthesis	0	50
superpathway of central carbon metabolism	3	46
glyoxalase pathway	0	12
acetyl-CoA degradation to acetate	0	11
respiration (anaerobic)	0	26
glycolysis I	1	18
polyphosphate metabolism	0	4
sucrose biosynthesis	0	14
folate polyglutamylation I	0	13
folate metabolism	0	22
pyrimidine nucleotide metabolism (phosphotransfer and nucleotide modification)	0	12
uridine-5'-phosphate biosynthesis	0	18
pyrimidine ribonucleotides de novo biosynthesis	0	22
salvage pathways of purine nucleosides	0	21
purine nucleotide metabolism (phosphotransfer and nucleotide modification)	0	23
glutamine biosynthesis II	0	7
serine biosynthesis	0	11
proline biosynthesis II	0	12
selenocysteine biosynthesis I (bacteria)	0	9
methionine biosynthesis	0	20
sphingolipid metabolism	0	20
glycerolipid biosynthesis - initial steps	0	10
superpathway of phospholipid biosynthesis	0	27
ester phospholipid biosynthesis	0	21
ether phospholipid biosynthesis	0	5
superpathway of glycolysis, pyruvate dehydrogenase and TCA cycle	1	34
superpathway of ribose and deoxyribose phosphate degradation	0	24
(deoxy)ribose phosphate degradation	0	18
methylmalonyl pathway	0	9
leucine degradation I	0	20
lactate oxidation	0	16
acetate formation from acetyl-CoA I	0	8
salvage pathways of adenine, hypoxanthine, and their nucleosides	0	23
starch degradation	0	10
superpathway of threonine metabolism	0	34
superpathway of arginine and ornithine degradation	0	27
superpathway of arginine, putrescine, and 4-aminobutyrate degradation	0	26
sucrose degradation to ethanol and lactate (anaerobic)	0	28
UDP-glucose conversion	0	8
superpathway of glycolysis and Entner-Doudoroff	0	23
glycolysis II	0	17
glycolysis III	0	18
purine and pyrimidine metabolism	0	32
arginine biosynthesis I	0	27
purine nucleotides de novo biosynthesis I	0	39
superpathway of histidine, purine, and pyrimidine biosynthesis	0	64
peptidoglycan and lipid A precursor biosynthesis	0	34
superpathway of lysine, threonine and methionine biosynthesis II	0	32
purine nucleotides de novo biosynthesis II	0	33
isoleucine biosynthesis I	0	24
superpathway of lysine, threonine and methionine biosynthesis I	0	38
threonine biosynthesis	0	16
methionine and S-adenosylmethionine synthesis	0	10
S-adenosylmethionine biosynthesis	0	7
tetrahydrofolate biosynthesis I	0	28
formylTHF biosynthesis II	0	27
formylTHF biosynthesis I	0	26
ascorbate biosynthesis I (L-galactose pathway)	0	17
GDP-mannose metabolism	0	11
UDP-N-acetylmuramoyl-pentapeptide biosynthesis III (meso-DAP-containing)	0	20
salvage pathways of guanine, xanthine, and their nucleosides	0	17
salvage pathways of purine nucleosides I	0	27
methionine biosynthesis II	0	18
lysine biosynthesis VI	0	19
lysine biosynthesis I	0	24
ornithine biosynthesis	0	17
CMP-KDO biosynthesis I	0	10
glycine degradation	0	10
superpathway of histidine, purine and pyrimidine biosynthesis	0	31
thiamin (vitamin B1) biosynthesis	0	5
riboflavin and FMN and FAD biosynthesis	0	11
TCA cycle, aerobic respiration	0	20
oxidative ethanol degradation	0	9
S-adenosylmethionine cycle	0	8
methylglyoxal pathway	0	9
phospholipid biosynthesis	0	10
allantoin degradation	0	7
glycogen catabolism	0	5
biotin biosynthesis	0	7
gamma-glutamyl cycle	0	6
myo-inositol biosynthesis	0	3
NAD biosynthesis I from aspartate	0	20
NAD salvage pathway II	0	11
Septum site determination	2	3
Methylation	0	5
FAS pathway and stress induction of HSP regulation	0	2
Calcium regulation in cardiac cell	0	9
Vitamin D metabolism	1	9
Trans-sulfuration pathway	0	14
Fas ligand pathway and stress induction of heat shock proteins	0	2
Methionine de novo and salvage pathway	1	48
Wnt/beta-catenin signaling pathway in leukemia	4	1
Amino acid conjugation of benzoic acid	0	9
Calcium regulation in cardiac cells	0	9
Glucuronidation	0	14
Methylation pathways	0	5
Amino acid conjugation	0	5
TCA cycle (aka Krebs or citric acid cycle)	0	24

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
SMAD family member 2	Homo sapiens (human)	Potency	22.1993	0.1737	34.3047	61.8120	AID1346859
SMAD family member 3	Homo sapiens (human)	Potency	22.1993	0.1737	34.3047	61.8120	AID1346859
retinoic acid nuclear receptor alpha variant 1	Homo sapiens (human)	Potency	52.7383	0.0030	41.6115	22,387.1992	AID1159552; AID1159555
estrogen-related nuclear receptor alpha	Homo sapiens (human)	Potency	31.1243	0.0015	30.6073	15,848.9004	AID1224841; AID1259401
estrogen nuclear receptor alpha	Homo sapiens (human)	Potency	41.1302	0.0002	29.3054	16,493.5996	AID743075; AID743080
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	12.5893	0.0100	39.5371	1,122.0200	AID588545
thyroid hormone receptor beta isoform 2	Rattus norvegicus (Norway rat)	Potency	69.5673	0.0003	23.4451	159.6830	AID743066
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Protein	Taxonomy	Measurement	Average	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)	Ki	12,666.6667	0.1000	0.1433	0.2000	AID151017; AID151018; AID151019
Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)	IC50 (µMol)	40,000.0000	0.0002	0.5335	10.0000	AID1797268; AID224309
Nociceptin receptor	Mus musculus (house mouse)	Ki	20,000.0000	0.0003	0.0651	0.1300	AID151019
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Process	via Protein(s)	Taxonomy
urea cycle	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
liver development	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
ornithine catabolic process	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
midgut development	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
response to xenobiotic stimulus	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
response to zinc ion	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
citrulline biosynthetic process	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
response to insulin	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
monoatomic anion homeostasis	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
response to biotin	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
ammonium homeostasis	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
arginine biosynthetic process via ornithine	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
pantothenate biosynthetic process	2-dehydropantoate 2-reductase	Escherichia coli K-12
pantothenate biosynthetic process	2-dehydropantoate 2-reductase	Escherichia coli K-12
peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
primary ovarian follicle growth	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of cytokine production	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
stimulatory C-type lectin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of inflammatory response to antigenic stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signal complex assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
epidermal growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transforming growth factor beta receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
integrin-mediated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
spermatogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
learning or memory	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to xenobiotic stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to mechanical stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to acidic pH	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of gene expression	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of epithelial cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of epithelial cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of glucose metabolic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein processing	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
skeletal muscle cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of smooth muscle cell migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
macroautophagy	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of cell-cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
platelet activation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
forebrain development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
T cell costimulation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of protein-containing complex assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein destabilization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to nutrient levels	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of telomere maintenance via telomerase	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to insulin stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of intracellular estrogen receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of integrin activation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of toll-like receptor 3 signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
adherens junction organization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
substrate adhesion-dependent cell spreading	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of dephosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of hippo signaling	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
intracellular signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
entry of bacterium into host cell	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
osteoclast development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to platelet-derived growth factor stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
Fc-gamma receptor signaling pathway involved in phagocytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ERBB2 signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
angiotensin-activated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
odontogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of vascular permeability	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
stress fiber assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of cysteine-type endopeptidase activity involved in apoptotic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transcytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of Notch signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of bone resorption	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of Ras protein signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of insulin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein autophosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
platelet-derived growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
vascular endothelial growth factor receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
neurotrophin TRK receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ephrin receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
focal adhesion assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
oogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of peptidyl-tyrosine phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
progesterone receptor signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
leukocyte migration	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of small GTPase mediated signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein transport	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to mineralocorticoid	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
myoblast proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to electrical stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of focal adhesion assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of mitochondrial depolarization	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of telomerase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
uterus development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
branching involved in mammary gland duct morphogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of cell projection assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
intestinal epithelial cell development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
interleukin-6-mediated signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to hydrogen peroxide	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of ERK1 and ERK2 cascade	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
response to interleukin-1	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to lipopolysaccharide	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to peptide hormone stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to progesterone stimulus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to fatty acid	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to hypoxia	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to fluid shear stress	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of podosome assembly	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
DNA biosynthetic process	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein serine/threonine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of heart rate by cardiac conduction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of canonical Wnt signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell-cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of protein localization to nucleus	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of non-membrane spanning protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of TORC1 signaling	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of vascular associated smooth muscle cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cellular response to prolactin	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of male germ cell proliferation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of ovarian follicle development	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of lamellipodium morphogenesis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
positive regulation of platelet-derived growth factor receptor-beta signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of early endosome to late endosome transport	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of anoikis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of extrinsic apoptotic signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
negative regulation of intrinsic apoptotic signaling pathway	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
regulation of caveolin-mediated endocytosis	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell differentiation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
innate immune response	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein phosphorylation	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
symbiont entry into host cell	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
ornithine carbamoyltransferase activity	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
phospholipid binding	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
amino acid binding	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
phosphate ion binding	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
identical protein binding	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
2-dehydropantoate 2-reductase activity	2-dehydropantoate 2-reductase	Escherichia coli K-12
oxidoreductase activity	2-dehydropantoate 2-reductase	Escherichia coli K-12
oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor	2-dehydropantoate 2-reductase	Escherichia coli K-12
NADP binding	2-dehydropantoate 2-reductase	Escherichia coli K-12
protein kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
non-membrane spanning protein tyrosine kinase activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein kinase C binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
signaling receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
insulin receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
integrin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
protein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ATP binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phospholipase activator activity	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
enzyme binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
heme binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
nuclear estrogen receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
SH2 domain binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phospholipase binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
transmembrane transporter binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cadherin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ephrin receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ATPase binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
phosphoprotein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
BMP receptor binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
connexin binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
scaffold protein binding	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Process	via Protein(s)	Taxonomy
mitochondrion	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
mitochondrial inner membrane	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
mitochondrial matrix	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
mitochondrion	Ornithine transcarbamylase, mitochondrial	Homo sapiens (human)
cytoplasm	2-dehydropantoate 2-reductase	Escherichia coli K-12
cytoplasm	2-dehydropantoate 2-reductase	Escherichia coli K-12
podosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
nucleoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cytoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
mitochondrion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
mitochondrial inner membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
lysosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
late endosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cytosol	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
actin filament	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
plasma membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
caveola	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
focal adhesion	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
cell junction	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
ruffle membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
neuronal cell body	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
dendritic growth cone	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
membrane raft	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
perinuclear region of cytoplasm	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
extracellular exosome	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
synaptic membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
glutamatergic synapse	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
postsynaptic specialization, intracellular component	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
dendritic filopodium	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
plasma membrane	Proto-oncogene tyrosine-protein kinase Src	Homo sapiens (human)
[Information is prepared from geneontology information from the June-17-2024 release]

Assay ID	Title	Year	Journal	Article
AID440574	Binding affinity to Mycobacterium tuberculosis adenosine-5'-phosphosulfate reductase assessed as S-sulfocysteine formation at pH 5.5 by single turnover method in absence of thioredoxin	2009	Journal of medicinal chemistry, Sep-10, Volume: 52, Issue:17	Identification of critical ligand binding determinants in Mycobacterium tuberculosis adenosine-5'-phosphosulfate reductase.
AID233500	The pKa value was measured at 31-P chemical shift changes due to protonation	1993	Journal of medicinal chemistry, Nov-12, Volume: 36, Issue:23	Protonation of phosphoramide mustard and other phosphoramides.
AID625292	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) combined score	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625291	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver function tests abnormal	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625281	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholelithiasis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625283	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for elevated liver function tests	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID224309	Inhibitory activity against SH2 domain of human p60 c-Src tyrosine kinase using surface plasmon resonance (SPR) assay.	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
AID625285	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic necrosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625282	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cirrhosis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID269135	Inhibition of Escherichia coli KPR	2006	Journal of medicinal chemistry, Aug-10, Volume: 49, Issue:16	Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods.
AID625287	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatomegaly	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625279	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for bilirubinemia	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID679721	TP_TRANSPORTER: uptake of H3PO4 at a concentration of 5uM in MCT1-expressing MDA-MB231 cells	1999	The Journal of pharmacy and pharmacology, Oct, Volume: 51, Issue:10	Immunohistochemical and functional characterization of pH-dependent intestinal absorption of weak organic acids by the monocarboxylic acid transporter MCT1.
AID625280	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for cholecystitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625289	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver disease	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID151018	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 mM EDTA at pH 7.0.	1999	Journal of medicinal chemistry, Jul-15, Volume: 42, Issue:14	alpha-Functionalized phosphonylphosphinates: synthesis and evaluation as transcarbamoylase inhibitors.
AID625284	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatic failure	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID227718	Binding energy by using the equation deltaG obsd = -RT ln KD	1984	Journal of medicinal chemistry, Dec, Volume: 27, Issue:12	Functional group contributions to drug-receptor interactions.
AID625288	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for jaundice	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID151019	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM maleate, 0.5 mM EDTA at pH 6.0.	1999	Journal of medicinal chemistry, Jul-15, Volume: 42, Issue:14	alpha-Functionalized phosphonylphosphinates: synthesis and evaluation as transcarbamoylase inhibitors.
AID1571654	Inhibition of red kidney bean PAP	2019	MedChemComm, Jan-01, Volume: 10, Issue:1	Synthesis and evaluation of novel purple acid phosphatase inhibitors.
AID151017	Binding affinity against ornithine transcarbamoylase (OTC) produced by Streptococcus faecalis The buffer taken for this study is 50 mM Tris.HCl, 0.5 mM EDTA at pH 8.0.	1999	Journal of medicinal chemistry, Jul-15, Volume: 42, Issue:14	alpha-Functionalized phosphonylphosphinates: synthesis and evaluation as transcarbamoylase inhibitors.
AID1375581	Metal chelating activity assessed as compound-Zn2+ complex formation by measuring stability of metal complex	2018	Journal of medicinal chemistry, 05-24, Volume: 61, Issue:10	Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
AID625286	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for hepatitis	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID625290	Drug Induced Liver Injury Prediction System (DILIps) training set; hepatic side effect (HepSE) score for liver fatty	2011	PLoS computational biology, Dec, Volume: 7, Issue:12	Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).
AID1571655	Inhibition of pig PAP	2019	MedChemComm, Jan-01, Volume: 10, Issue:1	Synthesis and evaluation of novel purple acid phosphatase inhibitors.
AID504749	qHTS profiling for inhibitors of Plasmodium falciparum proliferation	2011	Science (New York, N.Y.), Aug-05, Volume: 333, Issue:6043	Chemical genomic profiling for antimalarial therapies, response signatures, and molecular targets.
AID1296008	Cytotoxic Profiling of Annotated Libraries Using Quantitative High-Throughput Screening	2020	SLAS discovery : advancing life sciences R & D, 01, Volume: 25, Issue:1	Cytotoxic Profiling of Annotated and Diverse Chemical Libraries Using Quantitative High-Throughput Screening.
AID1346987	P-glycoprotein substrates identified in KB-8-5-11 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1346986	P-glycoprotein substrates identified in KB-3-1 adenocarcinoma cell line, qHTS therapeutic library screen	2019	Molecular pharmacology, 11, Volume: 96, Issue:5	A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
AID1797268	Scintillation Proximity Assay (SPA) from Article 10.1021/jm020970s: \\Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.\\	2003	Journal of medicinal chemistry, Nov-20, Volume: 46, Issue:24	Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	241 (11.39)	18.7374
1990's	229 (10.83)	18.2507
2000's	557 (26.34)	29.6817
2010's	961 (45.44)	24.3611
2020's	127 (6.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Publication Type	This drug (%)	All Drugs (%)
Trials	261 (11.06%)	5.53%
Reviews	28 (1.19%)	6.00%
Case Studies	27 (1.14%)	4.05%
Observational	1 (0.04%)	0.25%
Other	2,043 (86.57%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Trials	Classes	Roles
protocatechuic acid protocatechuic acid: RN given refers to parent cpd; structure. 3,4-dihydroxybenzoic acid : A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4.	2.46	2	0	catechols; dihydroxybenzoic acid	antineoplastic agent; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor; human xenobiotic metabolite; plant metabolite
phosphoserine Phosphoserine: The phosphoric acid ester of serine.	2.96	4	0	non-proteinogenic alpha-amino acid; O-phosphoamino acid; serine derivative	human metabolite
3-phenylpropionic acid 3-phenylpropionic acid: RN given refers to parent cpd. 3-phenylpropionic acid : A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group.	1.96	1	0	benzenes; monocarboxylic acid	antifungal agent; human metabolite; plant metabolite
gamma-aminobutyric acid gamma-Aminobutyric Acid: The most common inhibitory neurotransmitter in the central nervous system.. gamma-aminobutyric acid : A gamma-amino acid that is butanoic acid with the amino substituent located at C-4.	1.96	1	0	amino acid zwitterion; gamma-amino acid; monocarboxylic acid	human metabolite; neurotransmitter; Saccharomyces cerevisiae metabolite; signalling molecule
ethylene glycol Ethylene Glycol: A colorless, odorless, viscous dihydroxy alcohol. It has a sweet taste, but is poisonous if ingested. Ethylene glycol is the most important glycol commercially available and is manufactured on a large scale in the United States. It is used as an antifreeze and coolant, in hydraulic fluids, and in the manufacture of low-freezing dynamites and resins.. ethanediol : Any diol that is ethane or substituted ethane carrying two hydroxy groups.. ethylene glycol : A 1,2-glycol compound produced via reaction of ethylene oxide with water.	2.75	3	0	ethanediol; glycol	metabolite; mouse metabolite; solvent; toxin
acetic acid Acetic Acid: Product of the oxidation of ethanol and of the destructive distillation of wood. It is used locally, occasionally internally, as a counterirritant and also as a reagent. (Stedman, 26th ed). acetic acid : A simple monocarboxylic acid containing two carbons.	11.48	24	2	monocarboxylic acid	antimicrobial food preservative; Daphnia magna metabolite; food acidity regulator; protic solvent
acetaldehyde Acetaldehyde: A colorless, flammable liquid used in the manufacture of acetic acid, perfumes, and flavors. It is also an intermediate in the metabolism of alcohol. It has a general narcotic action and also causes irritation of mucous membranes. Large doses may cause death from respiratory paralysis.. acetaldehyde : The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke.. aldehyde : A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group.. acetyl group : A group, formally derived from acetic acid by dehydroxylation, which is fundamental to the biochemistry of all forms of life. When bound to coenzyme A, it is central to the metabolism of carbohydrates and fats.	2.45	2	0	aldehyde	carcinogenic agent; EC 3.5.1.4 (amidase) inhibitor; electron acceptor; Escherichia coli metabolite; human metabolite; mouse metabolite; mutagen; oxidising agent; Saccharomyces cerevisiae metabolite; teratogenic agent
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	8.62	25	3	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
acetyl phosphate acetyl dihydrogen phosphate : An acyl monophosphate in which the acyl group specified is acetyl.	6.92	1	0	acyl monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
adenine [no description available]	2.4	2	0	6-aminopurines; purine nucleobase	Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	5.14	14	0	azane; gas molecular entity; mononuclear parent hydride	EC 3.5.1.4 (amidase) inhibitor; metabolite; mouse metabolite; neurotoxin; NMR chemical shift reference compound; nucleophilic reagent; refrigerant
arsenic acid arsenic acid: RN given refers to orthoarsenic acid(H3AsO4); see also sodium arsenate. arsenic acid : An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom.	7.48	2	0	arsenic oxoacid	Escherichia coli metabolite
benzene [no description available]	2.78	3	0	aromatic annulene; benzenes; volatile organic compound	carcinogenic agent; environmental contaminant; non-polar solvent
benzoic acid Benzoic Acid: A fungistatic compound that is widely used as a food preservative. It is conjugated to GLYCINE in the liver and excreted as hippuric acid.. benzoic acid : A compound comprising a benzene ring core carrying a carboxylic acid substituent.. aromatic carboxylic acid : Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring.	3.3	6	0	benzoic acids	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
bromide Bromides: Salts of hydrobromic acid, HBr, with the bromine atom in the 1- oxidation state. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	2.07	1	0	halide anion; monoatomic bromine
1-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	3.13	5	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
butyric acid Butyric Acid: A four carbon acid, CH3CH2CH2COOH, with an unpleasant odor that occurs in butter and animal fat as the glycerol ester.. butyrate : A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.. butyric acid : A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group.	2	1	0	fatty acid 4:0; straight-chain saturated fatty acid	human urinary metabolite; Mycoplasma genitalium metabolite
carbamates [no description available]	3.16	5	0	amino-acid anion
carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas.	2.43	2	0	carbon oxide; gas molecular entity; one-carbon compound	biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent
formic acid formic acid: RN given refers to parent cpd. formic acid : The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects.	3.64	9	0	monocarboxylic acid	antibacterial agent; astringent; metabolite; protic solvent; solvent
catechol [no description available]	2.06	1	0	catechols	allelochemical; genotoxin; plant metabolite
methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC).	9.73	8	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
choline [no description available]	6.93	1	0	cholines	allergen; Daphnia magna metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; neurotransmitter; nutrient; plant metabolite; Saccharomyces cerevisiae metabolite
citric acid, anhydrous Citric Acid: A key intermediate in metabolism. It is an acid compound found in citrus fruits. The salts of citric acid (citrates) can be used as anticoagulants due to their calcium chelating ability.. citric acid : A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms.	11.34	74	8	tricarboxylic acid	antimicrobial agent; chelator; food acidity regulator; fundamental metabolite
chlorine chloride : A halide anion formed when chlorine picks up an electron to form an an anion.	7.38	42	3	halide anion; monoatomic chlorine	cofactor; Escherichia coli metabolite; human metabolite
hydrochloric acid Hydrochloric Acid: A strong corrosive acid that is commonly used as a laboratory reagent. It is formed by dissolving hydrogen chloride in water. GASTRIC ACID is the hydrochloric acid component of GASTRIC JUICE.. hydrogen chloride : A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms.	9.68	60	3	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse metabolite
salicylic acid Scalp: The outer covering of the calvaria. It is composed of several layers: SKIN; subcutaneous connective tissue; the occipitofrontal muscle which includes the tendinous galea aponeurotica; loose connective tissue; and the pericranium (the PERIOSTEUM of the SKULL).	4.1	3	1	monohydroxybenzoic acid	algal metabolite; antifungal agent; antiinfective agent; EC 1.11.1.11 (L-ascorbate peroxidase) inhibitor; keratolytic drug; plant hormone; plant metabolite
octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms.	2.41	1	0	alkane	xenobiotic
phloroglucinol Phloroglucinol: A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.. phloroglucinol : A benzenetriol with hydroxy groups at position 1, 3 and 5.	1.97	1	0	benzenetriol; phenolic donor	algal metabolite
2-aminoacetaldehyde 2-aminoacetaldehyde: structure. 2-aminoacetaldehyde : An amino aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group has been replaced by an amino group.	1.96	1	0	amino aldehyde; omega-aminoaldehyde	Escherichia coli metabolite
octanoic acid octanoic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #1764. octanoic acid : A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid.	2.06	1	0	medium-chain fatty acid; straight-chain saturated fatty acid	antibacterial agent; Escherichia coli metabolite; human metabolite
hydrogen sulfide Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.	2.46	2	0	gas molecular entity; hydracid; mononuclear parent hydride; sulfur hydride	Escherichia coli metabolite; genotoxin; metabolite; signalling molecule; toxin; vasodilator agent
trimetaphosphoric acid trimetaphosphoric acid: RN given refers to parent cpd; structure. cyclotriphosphoric acid : The cyclic anhydride of triphosphoric acid.	2.48	2	0	cyclic phosphorus acid anhydride; inorganic heterocyclic compound; phosphorus oxoacid
malic acid malic acid : A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.. 2-hydroxydicarboxylic acid : Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.	8.27	6	0	2-hydroxydicarboxylic acid; C4-dicarboxylic acid	food acidity regulator; fundamental metabolite
propionaldehyde propionaldehyde: may cause respiratory irritation; RN given refers to parent cpd; structure. propanal : An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals.	2.01	1	0	alpha-CH2-containing aldehyde; propanals	Escherichia coli metabolite
phosphoglycolate phosphoglycolate: RN given refers to parent acid. 2-phosphoglycolic acid : The O-phospho derivative of glycolic acid.	1.96	1	0	carboxyalkyl phosphate	Escherichia coli metabolite; mouse metabolite
phosphonoacetic acid Phosphonoacetic Acid: A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent.. phosphonoacetic acid : A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.	2.11	1	0	monocarboxylic acid; phosphonic acids	antiviral agent; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor
creatine [no description available]	6.92	1	0	glycine derivative; guanidines; zwitterion	geroprotector; human metabolite; mouse metabolite; neuroprotective agent; nutraceutical
lactic acid Lactic Acid: A normal intermediate in the fermentation (oxidation, metabolism) of sugar. The concentrated form is used internally to prevent gastrointestinal fermentation. (From Stedman, 26th ed). 2-hydroxypropanoic acid : A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.	10.37	22	0	2-hydroxy monocarboxylic acid	algal metabolite; Daphnia magna metabolite
diethyl phosphate diethyl phosphate: RN given refers to parent cpd. diethyl hydrogen phosphate : A dialkyl phosphate having ethyl as the alkyl group.	2.1	1	0	dialkyl phosphate	human xenobiotic metabolite; mouse metabolite
dimethylamine [no description available]	1.98	1	0	methylamines; secondary aliphatic amine	metabolite
dimethyl sulfoxide Dimethyl Sulfoxide: A highly polar organic liquid, that is used widely as a chemical solvent. Because of its ability to penetrate biological membranes, it is used as a vehicle for topical application of pharmaceuticals. It is also used to protect tissue during CRYOPRESERVATION. Dimethyl sulfoxide shows a range of pharmacological activity including analgesia and anti-inflammation.. dimethyl sulfoxide : A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents.	2.01	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
ethanolamine [no description available]	2.84	4	0	ethanolamines; primary alcohol; primary amine	Escherichia coli metabolite; human metabolite; mouse metabolite
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	2.76	3	0	aldehyde; one-carbon compound	allergen; carcinogenic agent; disinfectant; EC 3.5.1.4 (amidase) inhibitor; environmental contaminant; Escherichia coli metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
formamide formimidic acid : A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group.. primary carboxamide : A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2.	2.11	1	0	carboximidic acid; formamides; monocarboxylic acid amide; one-carbon compound	solvent
hexachlorocyclohexane Lindane: An organochlorine insecticide made up of greater than 99% gamma-Hexachlorocyclohexane. It has been used as a pediculicide and scabicide, and shown to cause cancer.. beta-hexachlorocyclohexane : The beta-isomer of hexachlorocyclohexane.	1.96	1	0	chlorocyclohexane
glycine [no description available]	8.63	9	0	alpha-amino acid; amino acid zwitterion; proteinogenic amino acid; serine family amino acid	EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor; fundamental metabolite; hepatoprotective agent; micronutrient; neurotransmitter; NMDA receptor agonist; nutraceutical
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	3.76	11	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
glycolic acid glycolic acid: RN given refers to parent cpd. glycolic acid : A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated.	3	4	0	2-hydroxy monocarboxylic acid; primary alcohol	keratolytic drug; metabolite
glyoxylic acid glyoxylic acid: RN given refers to parent cpd. glyoxylic acid : A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom.	2.11	1	0	2-oxo monocarboxylic acid; aldehydic acid	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
carbonic acid Carbonic Acid: Carbonic acid (H2C03). The hypothetical acid of carbon dioxide and water. It exists only in the form of its salts (carbonates), acid salts (hydrogen carbonates), amines (carbamic acid), and acid chlorides (carbonyl chloride). (From Grant & Hackh's Chemical Dictionary, 5th ed)	3.85	3	0	carbon oxoacid; chalcocarbonic acid	mouse metabolite
hydrogen carbonate Bicarbonates: Inorganic salts that contain the -HCO3 radical. They are an important factor in determining the pH of the blood and the concentration of bicarbonate ions is regulated by the kidney. Levels in the blood are an index of the alkali reserve or buffering capacity.. hydrogencarbonate : The carbon oxoanion resulting from the removal of a proton from carbonic acid.	4.03	4	0	carbon oxoanion	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
hydrogen Hydrogen: The first chemical element in the periodic table with atomic symbol H, and atomic number 1. Protium (atomic weight 1) is by far the most common hydrogen isotope. Hydrogen also exists as the stable isotope DEUTERIUM (atomic weight 2) and the radioactive isotope TRITIUM (atomic weight 3). Hydrogen forms into a diatomic molecule at room temperature and appears as a highly flammable colorless and odorless gas.. dihydrogen : An elemental molecule consisting of two hydrogens joined by a single bond.	4.42	20	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human metabolite
imidazole imidazole: RN given refers to parent cpd. 1H-imidazole : An imidazole tautomer which has the migrating hydrogen at position 1.	2.71	3	0	imidazole
indole [no description available]	7.41	1	0	indole; polycyclic heteroarene	Escherichia coli metabolite
iodine Iodine: A nonmetallic element of the halogen group that is represented by the atomic symbol I, atomic number 53, and atomic weight of 126.90. It is a nutritionally essential element, especially important in thyroid hormone synthesis. In solution, it has anti-infective properties and is used topically.. diiodine : Molecule comprising two covalently bonded iodine atoms with overall zero charge..	2.89	4	0	diatomic iodine	nutrient
malonic acid malonic acid : An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.. dicarboxylic acid : Any carboxylic acid containing two carboxy groups.	2.01	1	0	alpha,omega-dicarboxylic acid	human metabolite
methanol Methanol: A colorless, flammable liquid used in the manufacture of FORMALDEHYDE and ACETIC ACID, in chemical synthesis, antifreeze, and as a solvent. Ingestion of methanol is toxic and may cause blindness.. primary alcohol : A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it.. methanol : The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group.	9.68	27	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
phytic acid Phytic Acid: Complexing agent for removal of traces of heavy metal ions. It acts also as a hypocalcemic agent.. myo-inositol hexakisphosphate : A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated.	2.15	1	0	inositol phosphate
naphthalene [no description available]	2.48	2	0	naphthalenes; ortho-fused bicyclic arene	apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component
nickel Nickel: A trace element with the atomic symbol Ni, atomic number 28, and atomic weight 58.69. It is a cofactor of the enzyme UREASE.. nickel ion : A nickel atom having a net electric charge.. nickel atom : Chemical element (nickel group element atom) with atomic number 28.	4.93	8	1	metal allergen; nickel group element atom	epitope; micronutrient
niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.	2.45	2	0	pyridine alkaloid; pyridinecarboxamide; vitamin B3	anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor
niacin Niacin: A water-soluble vitamin of the B complex occurring in various animal and plant tissues. It is required by the body for the formation of coenzymes NAD and NADP. It has PELLAGRA-curative, vasodilating, and antilipemic properties.. vitamin B3 : Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms).. nicotinic acid : A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.	2	1	0	pyridine alkaloid; pyridinemonocarboxylic acid; vitamin B3	antidote; antilipemic drug; EC 3.5.1.19 (nicotinamidase) inhibitor; Escherichia coli metabolite; human urinary metabolite; metabolite; mouse metabolite; plant metabolite; vasodilator agent
nitrates Nitrates: Inorganic or organic salts and esters of nitric acid. These compounds contain the NO3- radical.	3.82	11	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species
nitric acid Nitric Acid: Nitric acid (HNO3). A colorless liquid that is used in the manufacture of inorganic and organic nitrates and nitro compounds for fertilizers, dye intermediates, explosives, and many different organic chemicals. Continued exposure to vapor may cause chronic bronchitis; chemical pneumonitis may occur. (From Merck Index, 11th ed). nitric acid : A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.	9.46	22	0	nitrogen oxoacid	protic solvent; reagent
nitrites Nitrites: Salts of nitrous acid or compounds containing the group NO2-. The inorganic nitrites of the type MNO2 (where M=metal) are all insoluble, except the alkali nitrites. The organic nitrites may be isomeric, but not identical with the corresponding nitro compounds. (Grant & Hackh's Chemical Dictionary, 5th ed)	3.36	6	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream.	1.98	1	0	gas molecular entity; nitrogen oxide	analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent
1-octanol 1-Octanol: A colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. (From McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). octan-1-ol : An octanol carrying the hydroxy group at position 1.	2.02	1	0	octanol; primary alcohol	antifungal agent; bacterial metabolite; fuel additive; kairomone; plant metabolite
hydroxide ion [no description available]	2.44	2	0	oxygen hydride	mouse metabolite
oxalic acid Oxalic Acid: A strong dicarboxylic acid occurring in many plants and vegetables. It is produced in the body by metabolism of glyoxylic acid or ascorbic acid. It is not metabolized but excreted in the urine. It is used as an analytical reagent and general reducing agent.. oxalic acid : An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2.	4.01	14	0	alpha,omega-dicarboxylic acid	algal metabolite; human metabolite; plant metabolite
4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group.	4.42	2	2	aminobenzoic acid; aromatic amino-acid zwitterion	allergen; Escherichia coli metabolite; plant metabolite
palmitic acid Palmitic Acid: A common saturated fatty acid found in fats and waxes including olive oil, palm oil, and body lipids.. hexadecanoic acid : A straight-chain, sixteen-carbon, saturated long-chain fatty acid.	1.97	1	0	long-chain fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; EC 1.1.1.189 (prostaglandin-E2 9-reductase) inhibitor; plant metabolite
phenol [no description available]	2.93	4	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse metabolite
phenylacetaldehyde [no description available]	2.1	1	0	alpha-CH2-containing aldehyde; phenylacetaldehydes	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
phenethylamine phenethylamine: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7016. 2-phenylethylamine : A phenylethylamine having the phenyl substituent at the 2-position.	1.96	1	0	alkaloid; aralkylamine; phenylethylamine	Escherichia coli metabolite; human metabolite; mouse metabolite
phosphoenolpyruvate Phosphoenolpyruvate: A monocarboxylic acid anion derived from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. It is a metabolic intermediate in GLYCOLYSIS; GLUCONEOGENESIS; and other pathways.. phosphoenolpyruvate : A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid.. phosphoenolpyruvic acid : A monocarboxylic acid that is acrylic acid substituted by a phosphonooxy group at position 2. It is a metabolic intermediate in pathways like glycolysis and gluconeogenesis.	2.17	1	0	carboxyalkyl phosphate; monocarboxylic acid	fundamental metabolite
phthalic acid phthalic acid: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7178. phthalic acid : A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.	2.08	1	0	benzenedicarboxylic acid	human xenobiotic metabolite
diphosphoric acid diphosphoric acid : An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid.	2	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid	Escherichia coli metabolite
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	2.97	4	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
1-propanol 1-Propanol: A colorless liquid made by oxidation of aliphatic hydrocarbons that is used as a solvent and chemical intermediate.. propan-1-ol : The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group.	2.43	2	0	propan-1-ols; short-chain primary fatty alcohol	metabolite; protic solvent
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	2.72	3	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.5	2	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
pyridoxal [no description available]	6.93	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxal phosphate Pyridoxal Phosphate: This is the active form of VITAMIN B 6 serving as a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate (PYRIDOXAMINE).. pyridoxal 5'-phosphate : The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal.	2.48	2	0	methylpyridines; monohydroxypyridine; pyridinecarbaldehyde; vitamin B6 phosphate	coenzyme; cofactor; EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyridoxine 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol: structure in first source. vitamin B6 : Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms).	2.07	1	0	hydroxymethylpyridine; methylpyridines; monohydroxypyridine; vitamin B6	cofactor; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
pyruvic acid Pyruvic Acid: An intermediate compound in the metabolism of carbohydrates, proteins, and fats. In thiamine deficiency, its oxidation is retarded and it accumulates in the tissues, especially in nervous structures. (From Stedman, 26th ed). pyruvic acid : A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.	3.08	5	0	2-oxo monocarboxylic acid	cofactor; fundamental metabolite
thiosulfates Thiosulfates: Inorganic salts of thiosulfuric acid possessing the general formula R2S2O3.. thiosulfate(2-) : A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid.	2.07	1	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion	human metabolite
dithionite Dithionite: Dithionite. The dithionous acid ion and its salts.	2.15	1	0	sulfur oxide; sulfur oxoanion
sarcosine cocobetaine: N-alkyl-betaine; cause of shampoo dermatitis	1.96	1	0	N-alkylglycine zwitterion; N-alkylglycine; N-methyl-amino acid; N-methylglycines	Escherichia coli metabolite; glycine receptor agonist; glycine transporter 1 inhibitor; human metabolite; mouse metabolite
selenic acid Selenic Acid: A strong dibasic acid with the molecular formula H2SeO4. Included under this heading is the acid form, and inorganic salts of dihydrogen selenium tetraoxide.	2.6	1	0	selenium oxoacid
selenious acid Selenious Acid: A selenium compound with the molecular formula H2SO3. It used as a source of SELENIUM, especially for patients that develop selenium deficiency following prolonged PARENTERAL NUTRITION.	2.6	1	0	selenium oxoacid
sulfites Sulfites: Inorganic salts of sulfurous acid.. sulfites : Any sulfurous acid derivative that is a salt or an ester of sulfurous acid.. organosulfonate oxoanion : An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.. sulfite : A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3).	2.8	3	0	divalent inorganic anion; sulfur oxide; sulfur oxoanion
succinic acid Succinic Acid: A water-soluble, colorless crystal with an acid taste that is used as a chemical intermediate, in medicine, the manufacture of lacquers, and to make perfume esters. It is also used in foods as a sequestrant, buffer, and a neutralizing agent. (Hawley's Condensed Chemical Dictionary, 12th ed, p1099; McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed, p1851). succinic acid : An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.	2.04	1	0	alpha,omega-dicarboxylic acid; C4-dicarboxylic acid	anti-ulcer drug; fundamental metabolite; micronutrient; nutraceutical; radiation protective agent
sulfuric acid sulfuric acid : A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom.	5.12	42	0	sulfur oxoacid	catalyst
thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively.	2.37	2	0	primary alcohol; vitamin B1	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	2.72	3	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
trimethylamine [no description available]	1.98	1	0	methylamines; tertiary amine	Escherichia coli metabolite; human xenobiotic metabolite
tryptamine [no description available]	2.4	2	0	aminoalkylindole; aralkylamino compound; indole alkaloid; tryptamines	human metabolite; mouse metabolite; plant metabolite
uric acid Uric Acid: An oxidation product, via XANTHINE OXIDASE, of oxypurines such as XANTHINE and HYPOXANTHINE. It is the final oxidation product of purine catabolism in humans and primates, whereas in most other mammals URATE OXIDASE further oxidizes it to ALLANTOIN.. uric acid : An oxopurine that is the final oxidation product of purine metabolism.. 6-hydroxy-1H-purine-2,8(7H,9H)-dione : A tautomer of uric acid having oxo groups at C-2 and C-8 and a hydroxy group at C-6.. 7,9-dihydro-1H-purine-2,6,8(3H)-trione : An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.	2.02	1	0	uric acid	Escherichia coli metabolite; human metabolite; mouse metabolite
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	7.21	26	4	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
vanillin Vanilla: A plant genus of the family ORCHIDACEAE that is the source of the familiar flavoring used in foods and medicines (FLAVORING AGENTS).	2.01	1	0	benzaldehydes; monomethoxybenzene; phenols	anti-inflammatory agent; anticonvulsant; antioxidant; flavouring agent; plant metabolite
1-anilino-8-naphthalenesulfonate 1-anilino-8-naphthalenesulfonate: RN given refers to parent cpd. 8-anilinonaphthalene-1-sulfonic acid : A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.	2.1	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
chlorocresol chlorocresol: injections for relief of intractable pain; RN given refers to parent cpd. 4-chloro-m-cresol : A hydroxytoluene that is 3-methylphenol which is substituted by a chlorine at position 4. A ryanodine receptor agonist.	2.13	1	0	hydroxytoluene; monochlorobenzenes	antimicrobial agent; disinfectant; ryanodine receptor agonist
phenytoin [no description available]	1.96	1	0	imidazolidine-2,4-dione	anticonvulsant; drug allergen; sodium channel blocker; teratogenic agent
oxyquinoline Oxyquinoline: An antiseptic with mild fungistatic, bacteriostatic, anthelmintic, and amebicidal action. It is also used as a reagent and metal chelator, as a carrier for radio-indium for diagnostic purposes, and its halogenated derivatives are used in addition as topical anti-infective agents and oral antiamebics.. quinolin-8-ol : A monohydroxyquinoline that is quinoline substituted by a hydroxy group at position 8. Its fungicidal properties are used for the control of grey mould on vines and tomatoes.	1.97	1	0	monohydroxyquinoline	antibacterial agent; antifungal agrochemical; antiseptic drug; iron chelator
acephate acephate : A phosphoramide that is methamidophos in which one of the hydrogens is replaced by an acetyl group.	2.05	1	0	mixed diacylamine; organic thiophosphate; organothiophosphate insecticide; phosphoramide	acaricide; agrochemical; EC 3.1.1.7 (acetylcholinesterase) inhibitor
acetaminophen Acetaminophen: Analgesic antipyretic derivative of acetanilide. It has weak anti-inflammatory properties and is used as a common analgesic, but may cause liver, blood cell, and kidney damage.. paracetamol : A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.	2.06	1	0	acetamides; phenols	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; cyclooxygenase 3 inhibitor; environmental contaminant; ferroptosis inducer; geroprotector; hepatotoxic agent; human blood serum metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).	2.05	1	0	phenols; phenylethanolamines; secondary amino compound	beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic
alendronate alendronic acid : A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.	2.05	1	0	1,1-bis(phosphonic acid); primary amino compound	bone density conservation agent; EC 2.5.1.1 (dimethylallyltranstransferase) inhibitor
alprenolol Alprenolol: One of the ADRENERGIC BETA-ANTAGONISTS used as an antihypertensive, anti-anginal, and anti-arrhythmic agent.. alprenolol : A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.	1.96	1	0	secondary alcohol; secondary amino compound	anti-arrhythmia drug; antihypertensive agent; beta-adrenergic antagonist; sympatholytic agent
amifostine anhydrous Amifostine: A phosphorothioate proposed as a radiation-protective agent. It causes splenic vasodilation and may block autonomic ganglia.. amifostine : An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy.	2.11	1	0	diamine; organic thiophosphate	antioxidant; prodrug; radiation protective agent
p-aminohippuric acid p-Aminohippuric Acid: The glycine amide of 4-aminobenzoic acid. Its sodium salt is used as a diagnostic aid to measure effective renal plasma flow (ERPF) and excretory capacity.. p-aminohippurate : A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.. p-aminohippuric acid : An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.	2	1	0	N-acylglycine	Daphnia magna metabolite
theophylline [no description available]	2.34	2	0	dimethylxanthine	adenosine receptor antagonist; anti-asthmatic drug; anti-inflammatory agent; bronchodilator agent; drug metabolite; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; fungal metabolite; human blood serum metabolite; immunomodulator; muscle relaxant; vasodilator agent
amitriptyline Amitriptyline: Tricyclic antidepressant with anticholinergic and sedative properties. It appears to prevent the re-uptake of norepinephrine and serotonin at nerve terminals, thus potentiating the action of these neurotransmitters. Amitriptyline also appears to antagonize cholinergic and alpha-1 adrenergic responses to bioactive amines.. amitriptyline : An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5.	2.4	2	0	carbotricyclic compound; tertiary amine	adrenergic uptake inhibitor; antidepressant; environmental contaminant; tropomyosin-related kinase B receptor agonist; xenobiotic
apraclonidine apraclonidine: relieves postoperative intraocular pressure following trabeculoplasty; RN given refers to parent cpd. apraclonidine : An imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group.	1.96	1	0	dichlorobenzene; guanidines; imidazolines	alpha-adrenergic agonist; antiglaucoma drug; beta-adrenergic agonist; diagnostic agent; ophthalmology drug
arecoline Arecoline: An alkaloid obtained from the betel nut (Areca catechu), fruit of a palm tree. It is an agonist at both muscarinic and nicotinic acetylcholine receptors. It is used in the form of various salts as a ganglionic stimulant, a parasympathomimetic, and a vermifuge, especially in veterinary practice. It has been used as a euphoriant in the Pacific Islands.. arecoline : A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine.	1.96	1	0	enoate ester; methyl ester; pyridine alkaloid; tetrahydropyridine	metabolite; muscarinic agonist
astemizole Astemizole: Antihistamine drug now withdrawn from the market in many countries because of rare but potentially fatal side effects.. astemizole : A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position.	1.96	1	0	benzimidazoles; piperidines	anti-allergic agent; anticoronaviral agent; H1-receptor antagonist
atrazine [no description available]	2.59	2	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
azelaic acid nonanedioic acid : An alpha,omega-dicarboxylic acid that is heptane substituted at positions 1 and 7 by carboxy groups.	2.01	1	0	alpha,omega-dicarboxylic acid; dicarboxylic fatty acid	antibacterial agent; antineoplastic agent; dermatologic drug; plant metabolite
azobenzene azobenzene: photosensor molecule known to undergo reversible isomerization from trans to cis on illumination with photons of appropriate wavelength; RN given refers to cpd without isomeric designation; structure. (E)-azobenzene : The (E)-isomer of azobenzene.. (Z)-azobenzene : The (Z)-isomer of azobenzene.. azobenzene : A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.	2.05	1	0	azobenzenes
bromazepam Bromazepam: One of the BENZODIAZEPINES that is used in the treatment of ANXIETY DISORDERS.	1.96	1	0	organic molecular entity
cacodylic acid dimethylarsinic acid : The organoarsenic compound that is arsenic acid substituted on the central arsenic atom with two methyl groups.	2.1	1	0	organoarsenic compound	xenobiotic metabolite
caffeine [no description available]	8.85	2	1	purine alkaloid; trimethylxanthine	adenosine A2A receptor antagonist; adenosine receptor antagonist; adjuvant; central nervous system stimulant; diuretic; EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor; EC 3.1.4.* (phosphoric diester hydrolase) inhibitor; environmental contaminant; food additive; fungal metabolite; geroprotector; human blood serum metabolite; mouse metabolite; mutagen; plant metabolite; psychotropic drug; ryanodine receptor agonist; xenobiotic
verapamil Verapamil: A calcium channel blocker that is a class IV anti-arrhythmia agent.. verapamil : A racemate comprising equimolar amounts of dexverapamil and (S)-verapamil. An L-type calcium channel blocker of the phenylalkylamine class, it is used (particularly as the hydrochloride salt) in the treatment of hypertension, angina pectoris and cardiac arrhythmia, and as a preventive medication for migraine.. 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile : A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.	7.03	1	0	aromatic ether; nitrile; polyether; tertiary amino compound
carbamazepine Carbamazepine: A dibenzazepine that acts as a sodium channel blocker. It is used as an anticonvulsant for the treatment of grand mal and psychomotor or focal SEIZURES. It may also be used in the management of BIPOLAR DISORDER, and has analgesic properties.. carbamazepine : A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant.	2.41	2	0	dibenzoazepine; ureas	analgesic; anticonvulsant; antimanic drug; drug allergen; EC 3.5.1.98 (histone deacetylase) inhibitor; environmental contaminant; glutamate transporter activator; mitogen; non-narcotic analgesic; sodium channel blocker; xenobiotic
carbinoxamine carbinoxamine: Note: tradenames that start with Histex refer to more than one drug. carbinoxamine : An organochlorine compound that is 2-(4-chlorobenzyl)pyridine in which one of the benzylic hydrogens is substituted by 2-(dimethylamino)ethoxy group. It is an ethanolamine-type antihistamine, used as its maleate salt for treating hay fever, as well as mild cases of Parkinson's disease.	1.96	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antiparkinson drug; H1-receptor antagonist; muscarinic antagonist
carbofuran Carbofuran: A cholinesterase inhibitor that is used as a systemic insecticide, an acaricide, and nematocide. (From Merck Index, 11th ed)	1.96	1	0	1-benzofurans; carbamate ester	acaricide; agrochemical; avicide; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nematicide
cefuroxime Cefuroxime: Broad-spectrum cephalosporin antibiotic resistant to beta-lactamase. It has been proposed for infections with gram-negative and gram-positive organisms, GONORRHEA, and HAEMOPHILUS.. cefuroxime : A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain.	2	1	0	carbamate ester; cephalosporin
cetyltrimethylammonium ion Cetrimonium: Cetyltrimethylammonium compound whose salts and derivatives are used primarily as topical antiseptics.. cetyltrimethylammonium ion : A quaternary ammonium ion in which the substituents on nitrogen are one hexadecyl and three methyl groups.	2.03	1	0	quaternary ammonium ion
cetylpyridinium Cetylpyridinium: Cationic bactericidal surfactant used as a topical antiseptic for skin, wounds, mucous membranes, instruments, etc.; and also as a component in mouthwash and lozenges.	2.5	2	0	pyridinium ion
chlorpheniramine Chlorpheniramine: A histamine H1 antagonist used in allergic reactions, hay fever, rhinitis, urticaria, and asthma. It has also been used in veterinary applications. One of the most widely used of the classical antihistaminics, it generally causes less drowsiness and sedation than PROMETHAZINE.. chlorphenamine : A tertiary amino compound that is propylamine which is substituted at position 3 by a pyridin-2-yl group and a p-chlorophenyl group and in which the hydrogens attached to the nitrogen are replaced by methyl groups. A histamine H1 antagonist, it is used to relieve the symptoms of hay fever, rhinitis, urticaria, and asthma.	1.96	1	0	monochlorobenzenes; pyridines; tertiary amino compound	anti-allergic agent; antidepressant; antipruritic drug; H1-receptor antagonist; histamine antagonist; serotonin uptake inhibitor
chlorpromazine Chlorpromazine: The prototypical phenothiazine antipsychotic drug. Like the other drugs in this class chlorpromazine's antipsychotic actions are thought to be due to long-term adaptation by the brain to blocking DOPAMINE RECEPTORS. Chlorpromazine has several other actions and therapeutic uses, including as an antiemetic and in the treatment of intractable hiccup.. chlorpromazine : A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety.	2.66	3	0	organochlorine compound; phenothiazines; tertiary amine	anticoronaviral agent; antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; phenothiazine antipsychotic drug
ciprofloxacin Ciprofloxacin: A broad-spectrum antimicrobial carboxyfluoroquinoline.. ciprofloxacin : A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.	3.34	6	0	aminoquinoline; cyclopropanes; fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone; zwitterion	antibacterial drug; antiinfective agent; antimicrobial agent; DNA synthesis inhibitor; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor; environmental contaminant; topoisomerase IV inhibitor; xenobiotic
clenbuterol Clenbuterol: A substituted phenylaminoethanol that has beta-2 adrenomimetic properties at very low doses. It is used as a bronchodilator in asthma.. clenbuterol : A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.	2.05	1	0	amino alcohol; dichlorobenzene; ethanolamines; primary arylamine; secondary amino compound; substituted aniline	beta-adrenergic agonist; bronchodilator agent; sympathomimetic agent
clonidine Clonidine: An imidazoline sympatholytic agent that stimulates ALPHA-2 ADRENERGIC RECEPTORS and central IMIDAZOLINE RECEPTORS. It is commonly used in the management of HYPERTENSION.. clonidine (amino form) : A clonidine that is 4,5-dihydro-1H-imidazol-2-amine in which one of the amino hydrogens is replaced by a 2,6-dichlorophenyl group.	1.96	1	0	clonidine; imidazoline
clotrimazole [no description available]	1.96	1	0	conazole antifungal drug; imidazole antifungal drug; imidazoles; monochlorobenzenes	antiinfective agent; environmental contaminant; xenobiotic
cycloleucine Cycloleucine: An amino acid formed by cyclization of leucine. It has cytostatic, immunosuppressive and antineoplastic activities.. 1-aminocyclopentanecarboxylic acid : A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups.	1.96	1	0	non-proteinogenic alpha-amino acid	EC 2.5.1.6 (methionine adenosyltransferase) inhibitor
cyproheptadine Cyproheptadine: A serotonin antagonist and a histamine H1 blocker used as antipruritic, appetite stimulant, antiallergic, and for the post-gastrectomy dumping syndrome, etc.. cyproheptadine : The product resulting from the formal oxidative coupling of position 5 of 5H-dibenzo[a,d]cycloheptene with position 4 of 1-methylpiperidine resulting in the formation of a double bond between the two fragments. It is a sedating antihistamine with antimuscarinic and calcium-channel blocking actions. It is used (particularly as the hydrochloride sesquihydrate) for the relief of allergic conditions including rhinitis, conjunctivitis due to inhalant allergens and foods, urticaria and angioedema, and in pruritic skin disorders. Unlike other antihistamines, it is also a seratonin receptor antagonist, making it useful in conditions such as vascular headache and anorexia.	1.96	1	0	piperidines; tertiary amine	anti-allergic agent; antipruritic drug; gastrointestinal drug; H1-receptor antagonist; serotonergic antagonist
dequalinium Dequalinium: A topical bacteriostat that is available as various salts. It is used in wound dressings and mouth infections and may also have antifungal action, but may cause skin ulceration.. dequalinium : A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.	1.97	1	0	quinolinium ion	antifungal agent; antineoplastic agent; antiseptic drug; mitochondrial NADH:ubiquinone reductase inhibitor
desipramine Desipramine: A tricyclic dibenzazepine compound that potentiates neurotransmission. Desipramine selectively blocks reuptake of norepinephrine from the neural synapse, and also appears to impair serotonin transport. This compound also possesses minor anticholinergic activity, through its affinity to muscarinic receptors.. desipramine : A dibenzoazepine consisting of 10,11-dihydro-5H-dibenzo[b,f]azepine substituted on nitrogen with a 3-(methylamino)propyl group.	1.96	1	0	dibenzoazepine; secondary amino compound	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; cholinergic antagonist; drug allergen; EC 3.1.4.12 (sphingomyelin phosphodiesterase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; serotonin uptake inhibitor
amphetamine Amphetamine: A powerful central nervous system stimulant and sympathomimetic. Amphetamine has multiple mechanisms of action including blocking uptake of adrenergics and dopamine, stimulation of release of monamines, and inhibiting monoamine oxidase. Amphetamine is also a drug of abuse and a psychotomimetic. The l- and the d,l-forms are included here. The l-form has less central nervous system activity but stronger cardiovascular effects. The d-form is DEXTROAMPHETAMINE.. 1-phenylpropan-2-amine : A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group.. amphetamine : A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine.	1.96	1	0	primary amine
diazepam Diazepam: A benzodiazepine with anticonvulsant, anxiolytic, sedative, muscle relaxant, and amnesic properties and a long duration of action. Its actions are mediated by enhancement of GAMMA-AMINOBUTYRIC ACID activity.. diazepam : A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5.	1.96	1	0	1,4-benzodiazepinone; organochlorine compound	anticonvulsant; anxiolytic drug; environmental contaminant; sedative; xenobiotic
diclofenac Diclofenac: A non-steroidal anti-inflammatory agent (NSAID) with antipyretic and analgesic actions. It is primarily available as the sodium salt.. diclofenac : A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.	1.96	1	0	amino acid; aromatic amine; dichlorobenzene; monocarboxylic acid; secondary amino compound	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
ddt 1,1-bis(p-chlorophenyl)-2,2,2-trichloroethane: structure in first source	1.96	1	0	benzenoid aromatic compound; chlorophenylethane; monochlorobenzenes; organochlorine insecticide	bridged diphenyl acaricide; carcinogenic agent; endocrine disruptor; persistent organic pollutant
dichlorvos Dichlorvos: An organophosphorus insecticide that inhibits ACETYLCHOLINESTERASE.. dichlorvos : An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate.	2.03	1	0	alkenyl phosphate; dialkyl phosphate; organochlorine acaricide; organophosphate insecticide	anthelminthic drug; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
diuron Diuron: A pre-emergent herbicide.. diuron : A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.	2.08	1	0	3-(3,4-substituted-phenyl)-1,1-dimethylurea; dichlorobenzene	environmental contaminant; mitochondrial respiratory-chain inhibitor; photosystem-II inhibitor; urea herbicide; xenobiotic
valproic acid Valproic Acid: A fatty acid with anticonvulsant and anti-manic properties that is used in the treatment of EPILEPSY and BIPOLAR DISORDER. The mechanisms of its therapeutic actions are not well understood. It may act by increasing GAMMA-AMINOBUTYRIC ACID levels in the brain or by altering the properties of VOLTAGE-GATED SODIUM CHANNELS.. valproic acid : A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.	2.38	2	0	branched-chain fatty acid; branched-chain saturated fatty acid	anticonvulsant; antimanic drug; EC 3.5.1.98 (histone deacetylase) inhibitor; GABA agent; neuroprotective agent; psychotropic drug; teratogenic agent
domperidone Domperidone: A specific blocker of dopamine receptors. It speeds gastrointestinal peristalsis, causes prolactin release, and is used as antiemetic and tool in the study of dopaminergic mechanisms.. domperidone : 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations.	2.39	2	0	benzimidazoles; heteroarylpiperidine	antiemetic; dopaminergic antagonist
donepezil Donepezil: An indan and piperidine derivative that acts as a selective and reversible inhibitor of ACETYLCHOLINESTERASE. Donepezil is highly selective for the central nervous system and is used in the management of mild to moderate DEMENTIA in ALZHEIMER DISEASE.. donepezil : A racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheimer's disease where it is used to increase cortical acetylcholine.. 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one : A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.	2.08	1	0	aromatic ether; indanones; piperidines; racemate	EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; nootropic agent
doxepin Doxepin: A dibenzoxepin tricyclic compound. It displays a range of pharmacological actions including maintaining adrenergic innervation. Its mechanism of action is not fully understood, but it appears to block reuptake of monoaminergic neurotransmitters into presynaptic terminals. It also possesses anticholinergic activity and modulates antagonism of histamine H(1)- and H(2)-receptors.. doxepin : A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an antidepressant drug.	1.96	1	0	dibenzooxepine; tertiary amino compound	antidepressant
ether Ether: A mobile, very volatile, highly flammable liquid used as an inhalation anesthetic and as a solvent for waxes, fats, oils, perfumes, alkaloids, and gums. It is mildly irritating to skin and mucous membranes.. ether : An organooxygen compound with formula ROR, where R is not hydrogen.. diethyl ether : An ether in which the oxygen atom is linked to two ethyl groups.	2.07	1	0	ether; volatile organic compound	inhalation anaesthetic; non-polar solvent; refrigerant
ethoxyquin Ethoxyquin: Antioxidant; also a post-harvest dip to prevent scald on apples and pears.. ethoxyquin : A quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6.	7	1	0	aromatic ether; quinolines	antifungal agrochemical; food antioxidant; genotoxin; geroprotector; herbicide; Hsp90 inhibitor; neuroprotective agent; UDP-glucuronosyltransferase activator
ethylenediamine ethylenediamine: RN given refers to parent cpd; edamine is the recommended contraction for the ethylenediamine radical. ethylenediamine : An alkane-alpha,omega-diamine in which the alkane is ethane.	2.11	1	0	alkane-alpha,omega-diamine	GABA agonist
etidronate Etidronic Acid: A diphosphonate which affects calcium metabolism. It inhibits ectopic calcification and slows down bone resorption and bone turnover.. etidronic acid : A 1,1-bis(phosphonic acid) that is (ethane-1,1-diyl)bis(phosphonic acid) having a hydroxy substituent at the 1-position. It inhibits the formation, growth, and dissolution of hydroxyapatite crystals by chemisorption to calcium phosphate surfaces.	2.31	1	0	1,1-bis(phosphonic acid)	antineoplastic agent; bone density conservation agent; chelator
fluorouracil Fluorouracil: A pyrimidine analog that is an antineoplastic antimetabolite. It interferes with DNA synthesis by blocking the THYMIDYLATE SYNTHETASE conversion of deoxyuridylic acid to thymidylic acid.. 5-fluorouracil : A nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following conversion to the active deoxynucleotide, it inhibits DNA synthesis (by blocking the conversion of deoxyuridylic acid to thymidylic acid by the cellular enzyme thymidylate synthetase) and so slows tumour growth.	2.06	1	0	nucleobase analogue; organofluorine compound	antimetabolite; antineoplastic agent; environmental contaminant; immunosuppressive agent; radiosensitizing agent; xenobiotic
fluoxetine Fluoxetine: The first highly specific serotonin uptake inhibitor. It is used as an antidepressant and often has a more acceptable side-effects profile than traditional antidepressants.. fluoxetine : A racemate comprising equimolar amounts of (R)- and (S)-fluoxetine. A selective serotonin reuptake inhibitor (SSRI), it is used (generally as the hydrochloride salt) for the treatment of depression (and the depressive phase of bipolar disorder), bullimia nervosa, and obsessive-compulsive disorder.. N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine : An aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(methylamino)-1-phenylpropyl group.	2.1	1	0	(trifluoromethyl)benzenes; aromatic ether; secondary amino compound
flurbiprofen Flurbiprofen: An anti-inflammatory analgesic and antipyretic of the phenylalkynoic acid series. It has been shown to reduce bone resorption in periodontal disease by inhibiting CARBONIC ANHYDRASE.. flurbiprofen : A monocarboxylic acid that is a 2-fluoro-[1,1'-biphenyl-4-yl] moiety linked to C-2 of propionic acid. A non-steroidal anti-inflammatory, analgesic and antipyretic, it is used as a pre-operative anti-miotic as well as orally for arthritis or dental pain.	1.96	1	0	fluorobiphenyl; monocarboxylic acid	antipyretic; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; non-narcotic analgesic; non-steroidal anti-inflammatory drug
fluspirilene Fluspirilene: A long-acting injectable antipsychotic agent used for chronic schizophrenia.	1.96	1	0	diarylmethane
foscarnet Foscarnet: An antiviral agent used in the treatment of cytomegalovirus retinitis. Foscarnet also shows activity against human herpesviruses and HIV.. phosphonoformic acid : Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity.	2	1	0	carboxylic acid; one-carbon compound; phosphonic acids	antiviral drug; geroprotector; HIV-1 reverse transcriptase inhibitor; sodium-dependent Pi-transporter inhibitor
furosemide Furosemide: A benzoic-sulfonamide-furan. It is a diuretic with fast onset and short duration that is used for EDEMA and chronic RENAL INSUFFICIENCY.. furosemide : A chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.	3.48	2	0	chlorobenzoic acid; furans; sulfonamide	environmental contaminant; loop diuretic; xenobiotic
2,5-dihydroxybenzoic acid 2,5-dihydroxybenzoic acid: RN given refers to parent cpd; a oxidative product of saligenin. 2,5-dihydroxybenzoic acid : A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions.	2.45	2	0	dihydroxybenzoic acid	EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; fungal metabolite; human metabolite; MALDI matrix material; mouse metabolite
glutaral Glutaral: One of the protein CROSS-LINKING REAGENTS that is used as a disinfectant for sterilization of heat-sensitive equipment and as a laboratory reagent, especially as a fixative.. glutaraldehyde : A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.	6.61	19	3	dialdehyde	cross-linking reagent; disinfectant; fixative
guanfacine Guanfacine: A centrally acting antihypertensive agent with specificity towards ADRENERGIC ALPHA-2 RECEPTORS.	1.96	1	0	acetamides
haloperidol Haloperidol: A phenyl-piperidinyl-butyrophenone that is used primarily to treat SCHIZOPHRENIA and other PSYCHOSES. It is also used in schizoaffective disorder, DELUSIONAL DISORDERS, ballism, and TOURETTE SYNDROME (a drug of choice) and occasionally as adjunctive therapy in INTELLECTUAL DISABILITY and the chorea of HUNTINGTON DISEASE. It is a potent antiemetic and is used in the treatment of intractable HICCUPS. (From AMA Drug Evaluations Annual, 1994, p279). haloperidol : A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.	6.55	13	4	aromatic ketone; hydroxypiperidine; monochlorobenzenes; organofluorine compound; tertiary alcohol	antidyskinesia agent; antiemetic; dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
ethidium Ethidium: A trypanocidal agent and possible antiviral agent that is widely used in experimental cell biology and biochemistry. Ethidium has several experimentally useful properties including binding to nucleic acids, noncompetitive inhibition of nicotinic acetylcholine receptors, and fluorescence among others. It is most commonly used as the bromide.. ethidium : The fluorescent compound widely used in experimental cell biology and biochemistry to reveal double-stranded DNA and RNA.	3.46	1	1	phenanthridines	fluorochrome; intercalator
hydrochlorothiazide Hydrochlorothiazide: A thiazide diuretic often considered the prototypical member of this class. It reduces the reabsorption of electrolytes from the renal tubules. This results in increased excretion of water and electrolytes, including sodium, potassium, chloride, and magnesium. It is used in the treatment of several disorders including edema, hypertension, diabetes insipidus, and hypoparathyroidism.. hydrochlorothiazide : A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.	2	1	0	benzothiadiazine; organochlorine compound; sulfonamide	antihypertensive agent; diuretic; environmental contaminant; xenobiotic
hydroxyzine Hydroxyzine: A histamine H1 receptor antagonist that is effective in the treatment of chronic urticaria, dermatitis, and histamine-mediated pruritus. Unlike its major metabolite CETIRIZINE, it does cause drowsiness. It is also effective as an antiemetic, for relief of anxiety and tension, and as a sedative.. hydroxyzine : A N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively.	2.1	1	0	hydroxyether; monochlorobenzenes; N-alkylpiperazine	anticoronaviral agent; antipruritic drug; anxiolytic drug; dermatologic drug; H1-receptor antagonist
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.7	3	0	monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; geroprotector; non-narcotic analgesic; non-steroidal anti-inflammatory drug; radical scavenger; xenobiotic
lidocaine Lidocaine: A local anesthetic and cardiac depressant used as an antiarrhythmia agent. Its actions are more intense and its effects more prolonged than those of PROCAINE but its duration of action is shorter than that of BUPIVACAINE or PRILOCAINE.. lidocaine : The monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline.	2.13	1	0	benzenes; monocarboxylic acid amide; tertiary amino compound	anti-arrhythmia drug; drug allergen; environmental contaminant; local anaesthetic; xenobiotic
iodoacetamide [no description available]	7.02	1	0
2-propanol 2-Propanol: An isomer of 1-PROPANOL. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic.. propan-2-ol : A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group.	2.96	4	0	secondary alcohol; secondary fatty alcohol	protic solvent
ketamine Ketamine: A cyclohexanone derivative used for induction of anesthesia. Its mechanism of action is not well understood, but ketamine can block NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE) and may interact with sigma receptors.. ketamine : A member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group.	2.11	1	0	cyclohexanones; monochlorobenzenes; secondary amino compound	analgesic; environmental contaminant; intravenous anaesthetic; neurotoxin; NMDA receptor antagonist; xenobiotic
ketanserin Ketanserin: A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.. ketanserin : A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.	1.96	1	0	aromatic ketone; organofluorine compound; piperidines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; cardiovascular drug; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; serotonergic antagonist
ketoconazole 1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine : A dioxolane that is 1,3-dioxolane which is substituted at positions 2, 2, and 4 by imidazol-1-ylmethyl, 2,4-dichlorophenyl, and [para-(4-acetylpiperazin-1-yl)phenoxy]methyl groups, respectively.	2.05	1	0	dichlorobenzene; dioxolane; ether; imidazoles; N-acylpiperazine; N-arylpiperazine
ketoprofen Ketoprofen: An IBUPROFEN-type anti-inflammatory analgesic and antipyretic. It is used in the treatment of rheumatoid arthritis and osteoarthritis.. ketoprofen : An oxo monocarboxylic acid that consists of propionic acid substituted by a 3-benzoylphenyl group at position 2.	2.02	1	0	benzophenones; oxo monocarboxylic acid	antipyretic; drug allergen; EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor; environmental contaminant; non-steroidal anti-inflammatory drug; xenobiotic
leflunomide Leflunomide: An isoxazole derivative that inhibits dihydroorotate dehydrogenase, the fourth enzyme in the pyrimidine biosynthetic pathway. It is used an immunosuppressive agent in the treatment of RHEUMATOID ARTHRITIS and PSORIATIC ARTHRITIS.. leflunomide : A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.	2.15	1	0	(trifluoromethyl)benzenes; isoxazoles; monocarboxylic acid amide	antineoplastic agent; antiparasitic agent; EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; hepatotoxic agent; immunosuppressive agent; non-steroidal anti-inflammatory drug; prodrug; pyrimidine synthesis inhibitor; tyrosine kinase inhibitor
lorazepam Lorazepam: A benzodiazepine used as an anti-anxiety agent with few side effects. It also has hypnotic, anticonvulsant, and considerable sedative properties and has been proposed as a preanesthetic agent.	1.96	1	0	benzodiazepine
mebeverine mebeverine: RN given refers to parent cpd; structure	2.08	1	0	methoxybenzoic acid
mescaline Mescaline: Hallucinogenic alkaloid isolated from the flowering heads (peyote) of Lophophora (formerly Anhalonium) williamsii, a Mexican cactus used in Indian religious rites and as an experimental psychotomimetic. Among its cellular effects are agonist actions at some types of serotonin receptors. It has no accepted therapeutic uses although it is legal for religious use by members of the Native American Church.. mescaline : A phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups.	1.96	1	0	methoxybenzenes; phenethylamine alkaloid; primary amino compound	hallucinogen
metaproterenol Metaproterenol: A beta-2 adrenergic agonist used in the treatment of ASTHMA and BRONCHIAL SPASM.. orciprenaline : A racemate composed of equimolar amounts of (R)- and (S)-orciprenaline. Used (as its sulfate salt) to relax the airway muscles and improve breathing for patients suffering from asthma or bronchitis.. 5-[1-hydroxy-2-(isopropanylamino)ethyl]benzene-1,3-diol : A member of the class of resorcinols bearing an additional 1-hydroxy-2-(isopropanylamino)ethyl substituent at position 5 of resorcinol itself.	1.97	1	0	aralkylamino compound; phenylethanolamines; resorcinols; secondary alcohol; secondary amino compound
methacrylic acid methacrylic acid: RN given refers to parent cpd. methacrylic acid : An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group.	2.1	1	0	alpha,beta-unsaturated monocarboxylic acid
methadone Methadone: A synthetic opioid that is used as the hydrochloride. It is an opioid analgesic that is primarily a mu-opioid agonist. It has actions and uses similar to those of MORPHINE. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1082-3). methadone : A racemate comprising equimolar amounts of dextromethadone and levomethadone. It is a opioid analgesic which is used as a painkiller and as a substitute for heroin in the treatment of heroin addiction.. 6-(dimethylamino)-4,4-diphenylheptan-3-one : A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.	2.41	2	0	benzenes; diarylmethane; ketone; tertiary amino compound
metharbital metharbital: was heading 1976-94 (see under BARBITURATES 1976-90); ENDIEMAL, METHARBITONE, & METHOBARBITONE were see METHARBITAL 1976-94; use BARBITURATES to search METHARBITAL 1976-94; long-acting barbiturate that is demethylated to barbital in the liver; has broad-spectrum anticonvulsant action, but used mainly to treat myoclonic spasms in infants	1.96	1	0	organic molecular entity
metronidazole Metronidazole: A nitroimidazole used to treat AMEBIASIS; VAGINITIS; TRICHOMONAS INFECTIONS; GIARDIASIS; ANAEROBIC BACTERIA; and TREPONEMAL INFECTIONS.. metronidazole : A member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa, and has a radiosensitising effect on hypoxic tumour cells. It may be given by mouth in tablets, or as the benzoate in an oral suspension. The hydrochloride salt can be used in intravenous infusions. Metronidazole is a prodrug and is selective for anaerobic bacteria due to their ability to intracellularly reduce the nitro group of metronidazole to give nitroso-containing intermediates. These can covalently bind to DNA, disrupting its helical structure, inducing DNA strand breaks and inhibiting bacterial nucleic acid synthesis, ultimately resulting in bacterial cell death.	2.08	1	0	C-nitro compound; imidazoles; primary alcohol	antiamoebic agent; antibacterial drug; antimicrobial agent; antiparasitic agent; antitrichomonal drug; environmental contaminant; prodrug; radiosensitizing agent; xenobiotic
mianserin Mianserin: A tetracyclic compound with antidepressant effects. It may cause drowsiness and hematological problems. Its mechanism of therapeutic action is not well understood, although it apparently blocks alpha-adrenergic, histamine H1, and some types of serotonin receptors.. mianserin : A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.	1.96	1	0	dibenzoazepine	adrenergic uptake inhibitor; alpha-adrenergic antagonist; antidepressant; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; geroprotector; H1-receptor antagonist; histamine agonist; sedative; serotonergic antagonist
miconazole Miconazole: An imidazole antifungal agent that is used topically and by intravenous infusion.. 1-[2-(2,4-dichlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole : A member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 2,4-dichlorobenzyl group.. miconazole : A racemate composed of equimolar amounts of (R)- and (S)-miconazole. Used (as its nitrate salt) to treat skin infections such as athlete's foot, jock itch, ringworm and other fungal skin infections. It inhibits the synthesis of ergosterol, a critical component of fungal cell membranes.	2.05	1	0	dichlorobenzene; ether; imidazoles
muscimol Muscimol: A neurotoxic isoxazole isolated from species of AMANITA. It is obtained by decarboxylation of IBOTENIC ACID. Muscimol is a potent agonist of GABA-A RECEPTORS and is used mainly as an experimental tool in animal and tissue studies.. muscimol : A member of the class of isoxazoles that is 1,2-oxazol-3(2H)-one substituted by an aminomethyl group at position 5. It has been isolated from mushrooms of the genus Amanita.	1.96	1	0	alkaloid; isoxazoles; primary amino compound	fungal metabolite; GABA agonist; oneirogen; psychotropic drug
deet N,N-diethyl-m-toluamide : A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide.	2.6	1	0	benzamides; monocarboxylic acid amide	environmental contaminant; insect repellent; xenobiotic
ethylmaleimide Ethylmaleimide: A sulfhydryl reagent that is widely used in experimental biochemical studies.	1.96	1	0	maleimides	anticoronaviral agent; EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor; EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor; EC 2.7.1.1 (hexokinase) inhibitor
naled Naled: An organophosphate cholinesterase inhibitor that is used as an insecticide and as an acaricide.. naled : An dialkyl phosphate resulting from the formal condensation of the acidic hydroxy group of dimethyl hydrogen phosphate with the alcoholic hydroxy group of 1,2-dibromo-2,2-dichloroethanol. An organophosphate insecticide, it is no longer approved for use within the European Union.	2.03	1	0	dialkyl phosphate; organobromine compound; organochlorine compound; organophosphate insecticide	acaricide; agrochemical; antibacterial agent; antifungal agent; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor
naphazoline Naphazoline: An adrenergic vasoconstrictor agent used as a decongestant.	1.96	1	0	naphthalenes
nevirapine Nevirapine: A potent, non-nucleoside reverse transcriptase inhibitor used in combination with nucleoside analogues for treatment of HIV INFECTIONS and AIDS.. nevirapine : A dipyridodiazepine that is 5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.	2.43	2	0	cyclopropanes; dipyridodiazepine	antiviral drug; HIV-1 reverse transcriptase inhibitor
nisoxetine nisoxetine: potent inhibitor for norepinephrine uptake into rat brain synaptosomes & brain; NM refers to (+-)-isomer; RN given refers to parent cpd; structure. nisoxetine : A secondary amino compound that is N-methyl-3-phenylpropan-1-amine substituted at position 3 by a 2-methoxyphenoxy group.	1.96	1	0	aromatic ether; secondary amino compound	adrenergic uptake inhibitor; antidepressant
nomifensine Nomifensine: An isoquinoline derivative that prevents dopamine reuptake into synaptosomes. The maleate was formerly used in the treatment of depression. It was withdrawn worldwide in 1986 due to the risk of acute hemolytic anemia with intravascular hemolysis resulting from its use. In some cases, renal failure also developed. (From Martindale, The Extra Pharmacopoeia, 30th ed, p266). nomifensine : An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively.	1.96	1	0	isoquinolines	dopamine uptake inhibitor
norfloxacin Norfloxacin: A synthetic fluoroquinolone (FLUOROQUINOLONES) with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin inhibits bacterial DNA GYRASE.. norfloxacin : A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase.	2.48	2	0	fluoroquinolone antibiotic; N-arylpiperazine; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antibacterial drug; DNA synthesis inhibitor; environmental contaminant; xenobiotic
oxotremorine Oxotremorine: A non-hydrolyzed muscarinic agonist used as a research tool.	1.96	1	0	N-alkylpyrrolidine
oxymetazoline Oxymetazoline: A direct acting sympathomimetic used as a vasoconstrictor to relieve nasal congestion. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1251). oxymetazoline : A member of the class of phenols that is 2,4-dimethylphenol which is substituted at positions 3 and 6 by 4,5-dihydro-1H-imidazol-2-ylmethyl and tert-butyl groups, respectively. A direct-acting sympathomimetic with marked alpha-adrenergic activity, it is a vasoconstrictor that is used (generally as the hydrochloride salt) to relieve nasal congestion.	1.96	1	0	carboxamidine; imidazolines; phenols	alpha-adrenergic agonist; nasal decongestant; sympathomimetic agent; vasoconstrictor agent
quinone benzoquinone : The simplest members of the class of benzoquinones, consisting of cyclohexadiene which is substituted by two oxo groups.. 1,4-benzoquinone : The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.. quinone : Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included).	6.93	1	0	1,4-benzoquinones	cofactor; human xenobiotic metabolite; mouse metabolite
pantoprazole Pantoprazole: 2-pyridinylmethylsulfinylbenzimidazole proton pump inhibitor that is used in the treatment of GASTROESOPHAGEAL REFLUX and PEPTIC ULCER.. pantoprazole : A member of the class of benzimidazoles that is 1H-benzimidazole substituted by a difluoromethoxy group at position 5 and a [(3,4-dimethoxypyridin-2-yl)methyl]sulfinyl group at position 2.	2.03	1	0	aromatic ether; benzimidazoles; organofluorine compound; pyridines; sulfoxide	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; environmental contaminant; xenobiotic
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	2.08	1	0	aromatic amine
pentoxifylline [no description available]	1.99	1	0	oxopurine
phenacetin Saridon: contains phenacetin, caffeine, propyphenazone & pyrithyldione	2	1	0	acetamides; aromatic ether	cyclooxygenase 3 inhibitor; non-narcotic analgesic; peripheral nervous system drug
phenolphthalein Phenolphthalein: An acid-base indicator which is colorless in acid solution, but turns pink to red as the solution becomes alkaline. It is used medicinally as a cathartic.	6.93	1	0	phenols
phenolsulfonphthalein Phenolsulfonphthalein: Red dye, pH indicator, and diagnostic aid for determination of renal function. It is used also for studies of the gastrointestinal and other systems.. phenol red : 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 to bright pink above pH 8.2, it is commonly used as an indicator in cell cultures and in home swimming pool test kits. It is also used in the (now infrequently performed) phenolsulfonphthalein (PSP) test for estimation of overall blood flow through the kidney.	2.02	1	0	2,1-benzoxathiole; arenesulfonate ester; phenols; sultone	acid-base indicator; diagnostic agent; two-colour indicator
phenylbutazone Phenylbutazone: A butyl-diphenyl-pyrazolidinedione that has anti-inflammatory, antipyretic, and analgesic activities. It has been used in ANKYLOSING SPONDYLITIS; RHEUMATOID ARTHRITIS; and REACTIVE ARTHRITIS.. phenylbutazone : A member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position.	1.96	1	0	pyrazolidines	antirheumatic drug; EC 1.1.1.184 [carbonyl reductase (NADPH)] inhibitor; metabolite; non-narcotic analgesic; non-steroidal anti-inflammatory drug; peripheral nervous system drug
pioglitazone Pioglitazone: A thiazolidinedione and PPAR GAMMA agonist that is used in the treatment of TYPE 2 DIABETES MELLITUS.. pioglitazone : A member of the class of thiazolidenediones that is 1,3-thiazolidine-2,4-dione substituted by a benzyl group at position 5 which in turn is substituted by a 2-(5-ethylpyridin-2-yl)ethoxy group at position 4 of the phenyl ring. It exhibits hypoglycemic activity.	2.1	1	0	aromatic ether; pyridines; thiazolidinediones	antidepressant; cardioprotective agent; EC 2.7.1.33 (pantothenate kinase) inhibitor; EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor; ferroptosis inhibitor; geroprotector; hypoglycemic agent; insulin-sensitizing drug; PPARgamma agonist; xenobiotic
pipamperone pipamperone: RN given refers to parent cpd; structure. pipamperone : A member of the class of bipiperidines that is 1,4'-bipiperidine which is substituted at the 1' and 4' positions by 4-(p-fluorophenyl)-4-oxobutyl and carboxamide groups, respectively. A first generation antipsychotic, its properties are generally similar to those of haloperidol.	1.96	1	0	aromatic ketone; bipiperidines; monocarboxylic acid amide; organofluorine compound; tertiary amino compound	dopaminergic antagonist; first generation antipsychotic; serotonergic antagonist
piperazine [no description available]	2.02	1	0	azacycloalkane; piperazines; saturated organic heteromonocyclic parent	anthelminthic drug
potassium chloride Potassium Chloride: A white crystal or crystalline powder used in BUFFERS; FERTILIZERS; and EXPLOSIVES. It can be used to replenish ELECTROLYTES and restore WATER-ELECTROLYTE BALANCE in treating HYPOKALEMIA.. potassium chloride : A metal chloride salt with a K(+) counterion.	3.26	6	0	inorganic chloride; inorganic potassium salt; potassium salt	fertilizer
potassium iodide Potassium Iodide: An inorganic compound that is used as a source of iodine in thyrotoxic crisis and in the preparation of thyrotoxic patients for thyroidectomy. (From Dorland, 27th ed). potassium iodide : A metal iodide salt with a K(+) counterion. It is a scavenger of hydroxyl radicals.	2.03	1	0	potassium salt	expectorant; radical scavenger
4-aminobenzoic acid para-Aminobenzoates: Benzoic acids, salts, or esters that contain an amino group attached to carbon number 4 of the benzene ring structure.. 4-aminobenzoate : An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.	3.87	2	1	aminobenzoate; aromatic amino-acid anion	Escherichia coli metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
prazosin Prazosin: A selective adrenergic alpha-1 antagonist used in the treatment of HEART FAILURE; HYPERTENSION; PHEOCHROMOCYTOMA; RAYNAUD DISEASE; PROSTATIC HYPERTROPHY; and URINARY RETENTION.. prazosin : A member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.	1.96	1	0	aromatic ether; furans; monocarboxylic acid amide; piperazines; quinazolines	alpha-adrenergic antagonist; antihypertensive agent; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor
promazine Promazine: A phenothiazine with actions similar to CHLORPROMAZINE but with less antipsychotic activity. It is primarily used in short-term treatment of disturbed behavior and as an antiemetic.. promazine : A phenothiazine deriative in which the phenothiazine tricycle has a 3-(dimethylaminopropyl) group at the N-10 position.	2.1	1	0	phenothiazines; tertiary amine	antiemetic; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; H1-receptor antagonist; muscarinic antagonist; phenothiazine antipsychotic drug; serotonergic antagonist
promethazine Promethazine: A phenothiazine derivative with histamine H1-blocking, antimuscarinic, and sedative properties. It is used as an antiallergic, in pruritus, for motion sickness and sedation, and also in animals.. promethazine : A tertiary amine that is a substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropan-2-amine moiety.	1.96	1	0	phenothiazines; tertiary amine	anti-allergic agent; anticoronaviral agent; antiemetic; antipruritic drug; H1-receptor antagonist; local anaesthetic; sedative
propazine propazine: relatively non-toxic triazine herbicide; minor descriptor (75-82); online & Index Medicus search TRIAZINES (75-82). propazine : A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.	2.25	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
propranolol Propranolol: A widely used non-cardioselective beta-adrenergic antagonist. Propranolol has been used for MYOCARDIAL INFARCTION; ARRHYTHMIA; ANGINA PECTORIS; HYPERTENSION; HYPERTHYROIDISM; MIGRAINE; PHEOCHROMOCYTOMA; and ANXIETY but adverse effects instigate replacement by newer drugs.. propranolol : A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.	1.96	1	0	naphthalenes; propanolamine; secondary amine	anti-arrhythmia drug; antihypertensive agent; anxiolytic drug; beta-adrenergic antagonist; environmental contaminant; human blood serum metabolite; vasodilator agent; xenobiotic
protriptyline Protriptyline: Tricyclic antidepressant similar in action and side effects to IMIPRAMINE. It may produce excitation.	1.96	1	0	carbotricyclic compound	antidepressant
pyrilamine Pyrilamine: A histamine H1 antagonist. It has mild hypnotic properties and some local anesthetic action and is used for allergies (including skin eruptions) both parenterally and locally. It is a common ingredient of cold remedies.. mepyramine : An ethylenediamine derivative that is ethylenediamine in which one of the amino nitrogens is substituted by two methyl groups and the remaining amino nitrogen is substituted by a 4-methoxybenzyl and a pyridin-2-yl group.	1.96	1	0	aromatic ether; ethylenediamine derivative	H1-receptor antagonist
pyrimethamine Maloprim: contains above 2 cpds	1.96	1	0	aminopyrimidine; monochlorobenzenes	antimalarial; antiprotozoal drug; EC 1.5.1.3 (dihydrofolate reductase) inhibitor
resorcinol resorcinol: RN given refers to parent cpd; structure in Merck Index, 9th ed, #7951. resorcinol : A benzenediol that is benzene dihydroxylated at positions 1 and 3.	2.07	1	0	benzenediol; phenolic donor; resorcinols	erythropoietin inhibitor; sensitiser
saccharin Saccharin: Flavoring agent and non-nutritive sweetener.. saccharin : A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent.	2.03	1	0	1,2-benzisothiazole; N-sulfonylcarboxamide	environmental contaminant; sweetening agent; xenobiotic
simazine Simazine: A triazine herbicide.. simazine : A diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.	2.25	1	0	chloro-1,3,5-triazine; diamino-1,3,5-triazine	environmental contaminant; herbicide; xenobiotic
sodium fluoride [no description available]	14.36	17	6	fluoride salt	mutagen
spiperone Spiperone: A spiro butyrophenone analog similar to HALOPERIDOL and other related compounds. It has been recommended in the treatment of SCHIZOPHRENIA.. spiperone : An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.	1.96	1	0	aromatic ketone; azaspiro compound; organofluorine compound; piperidines; tertiary amino compound	alpha-adrenergic antagonist; antipsychotic agent; dopaminergic antagonist; psychotropic drug; serotonergic antagonist
stearic acid octadecanoic acid : A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics.	2.58	2	0	long-chain fatty acid; saturated fatty acid; straight-chain saturated fatty acid	algal metabolite; Daphnia magna metabolite; human metabolite; plant metabolite
sulfamethoxazole Sulfamethoxazole: A bacteriostatic antibacterial agent that interferes with folic acid synthesis in susceptible bacteria. Its broad spectrum of activity has been limited by the development of resistance. (From Martindale, The Extra Pharmacopoeia, 30th ed, p208). sulfamethoxazole : An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.	2.03	1	0	isoxazoles; substituted aniline; sulfonamide antibiotic; sulfonamide	antibacterial agent; antiinfective agent; antimicrobial agent; drug allergen; EC 1.1.1.153 [sepiapterin reductase (L-erythro-7,8-dihydrobiopterin forming)] inhibitor; EC 2.5.1.15 (dihydropteroate synthase) inhibitor; environmental contaminant; epitope; P450 inhibitor; xenobiotic
gatifloxacin Gatifloxacin: A fluoroquinolone antibacterial agent and DNA TOPOISOMERASE II inhibitor that is used as an ophthalmic solution for the treatment of BACTERIAL CONJUNCTIVITIS.. gatifloxacin : A monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-methylpiperazin-1-yl, and methoxy groups, respectively. Gatifloxacin is an antibiotic of the fourth-generation fluoroquinolone family, that like other members of that family, inhibits the bacterial topoisomerase type-II enzymes.	2.03	1	0	N-arylpiperazine; organofluorine compound; quinolinemonocarboxylic acid; quinolone antibiotic; quinolone	antiinfective agent; antimicrobial agent; EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor
krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs.	2.04	1	0	monoatomic krypton; noble gas atom; p-block element atom
thalidomide Thalidomide: A piperidinyl isoindole originally introduced as a non-barbiturate hypnotic, but withdrawn from the market due to teratogenic effects. It has been reintroduced and used for a number of immunological and inflammatory disorders. Thalidomide displays immunosuppressive and anti-angiogenic activity. It inhibits release of TUMOR NECROSIS FACTOR-ALPHA from monocytes, and modulates other cytokine action.. thalidomide : A racemate comprising equimolar amounts of R- and S-thalidomide.. 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione : A dicarboximide that is isoindole-1,3(2H)-dione in which the hydrogen attached to the nitrogen is substituted by a 2,6-dioxopiperidin-3-yl group.	2	1	0	phthalimides; piperidones
thioridazine Thioridazine: A phenothiazine antipsychotic used in the management of PHYCOSES, including SCHIZOPHRENIA.. thioridazine : A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position.	2.4	2	0	phenothiazines; piperidines	alpha-adrenergic antagonist; dopaminergic antagonist; EC 1.8.1.12 (trypanothione-disulfide reductase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
triclosan [no description available]	3.41	1	1	aromatic ether; dichlorobenzene; monochlorobenzenes; phenols	antibacterial agent; antimalarial; drug allergen; EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; fungicide; persistent organic pollutant; xenobiotic
trimethoprim Trimethoprim: A pyrimidine inhibitor of dihydrofolate reductase, it is an antibacterial related to PYRIMETHAMINE. It is potentiated by SULFONAMIDES and the TRIMETHOPRIM, SULFAMETHOXAZOLE DRUG COMBINATION is the form most often used. It is sometimes used alone as an antimalarial. TRIMETHOPRIM RESISTANCE has been reported.. trimethoprim : An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.	1.96	1	0	aminopyrimidine; methoxybenzenes	antibacterial drug; diuretic; drug allergen; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; environmental contaminant; xenobiotic
urethane [no description available]	2.05	1	0	carbamate ester	fungal metabolite; mutagen
wb 4101 N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine : A benzodioxine that is 2,3-dihydro-1,4-benzodioxine bearing a [(2',6'-dimethoxyphenoxy)ethylamino]methyl group at position 2. An alpha1A-adrenergic selective antagonist.	1.96	1	0	aromatic ether; benzodioxine; secondary amino compound	alpha-adrenergic antagonist
xylazine Xylazine: An adrenergic alpha-2 agonist used as a sedative, analgesic and centrally acting muscle relaxant in VETERINARY MEDICINE.. xylazine : A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an alpha2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties.	1.96	1	0	1,3-thiazine; methylbenzene; secondary amino compound	alpha-adrenergic agonist; analgesic; emetic; muscle relaxant; sedative
zinc chloride zinc chloride: RN given refers to parent cpd. zinc dichloride : A compound of zinc and chloride ions in the ratio 1:2. It exists in four crystalline forms, in each of which the Zn(2+) ions are trigonal planar coordinated to four chloride ions.	3.46	7	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
corticosterone [no description available]	1.96	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid; glucocorticoid; primary alpha-hydroxy ketone	human metabolite; mouse metabolite
lysergic acid diethylamide Lysergic Acid Diethylamide: Semisynthetic derivative of ergot (Claviceps purpurea). It has complex effects on serotonergic systems including antagonism at some peripheral serotonin receptors, both agonist and antagonist actions at central nervous system serotonin receptors, and possibly effects on serotonin turnover. It is a potent hallucinogen, but the mechanisms of that effect are not well understood.. lysergic acid diethylamide : An ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine.	1.96	1	0	ergoline alkaloid; monocarboxylic acid amide; organic heterotetracyclic compound	dopamine agonist; hallucinogen; serotonergic agonist
phentolamine Phentolamine: A nonselective alpha-adrenergic antagonist. It is used in the treatment of hypertension and hypertensive emergencies, pheochromocytoma, vasospasm of RAYNAUD DISEASE and frostbite, clonidine withdrawal syndrome, impotence, and peripheral vascular disease.. phentolamine : A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension.	1.96	1	0	imidazoles; phenols; substituted aniline; tertiary amino compound	alpha-adrenergic antagonist; vasodilator agent
3,3',5-triiodothyroacetic acid tiratricol : A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome.	1.96	1	0
hydroxyproline Hydroxyproline: A hydroxylated form of the imino acid proline. A deficiency in ASCORBIC ACID can result in impaired hydroxyproline formation.. hydroxyproline : A proline derivative that is proline substituted by at least one hydroxy group.	2.77	3	0	4-hydroxyproline; L-alpha-amino acid zwitterion	human metabolite; mouse metabolite; plant metabolite
thyroxine Thyroxine: The major hormone derived from the thyroid gland. Thyroxine is synthesized via the iodination of tyrosines (MONOIODOTYROSINE) and the coupling of iodotyrosines (DIIODOTYROSINE) in the THYROGLOBULIN. Thyroxine is released from thyroglobulin by proteolysis and secreted into the blood. Thyroxine is peripherally deiodinated to form TRIIODOTHYRONINE which exerts a broad spectrum of stimulatory effects on cell metabolism.. thyroxine : An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions.	2.65	3	0	2-halophenol; iodophenol; L-phenylalanine derivative; non-proteinogenic L-alpha-amino acid; thyroxine zwitterion; thyroxine	antithyroid drug; human metabolite; mouse metabolite; thyroid hormone
carbachol Carbachol: A slowly hydrolyzed CHOLINERGIC AGONIST that acts at both MUSCARINIC RECEPTORS and NICOTINIC RECEPTORS.	1.96	1	0	ammonium salt; carbamate ester	cardiotonic drug; miotic; muscarinic agonist; nicotinic acetylcholine receptor agonist; non-narcotic analgesic
aldosterone [no description available]	1.96	1	0	11beta-hydroxy steroid; 18-oxo steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(4) steroid; C21-steroid hormone; mineralocorticoid; primary alpha-hydroxy ketone; steroid aldehyde	human metabolite; mouse metabolite
trichlorfon Trichlorfon: An organochlorophosphate cholinesterase inhibitor that is used as an insecticide for the control of flies and roaches. It is also used in anthelmintic compositions for animals. (From Merck, 11th ed). trichlorfon : A phosphonic ester that is dimethyl phosphonate in which the hydrogen atom attched to the phosphorous is substituted by a 2,2,2-trichloro-1-hydroxyethyl group.	2.03	1	0	organic phosphonate; organochlorine compound; phosphonic ester	agrochemical; anthelminthic drug; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; insecticide
androsterone [no description available]	6.93	1	0	17-oxo steroid; 3alpha-hydroxy steroid; androstanoid; C19-steroid	androgen; anticonvulsant; human blood serum metabolite; human metabolite; human urinary metabolite; mouse metabolite; pheromone
dehydroepiandrosterone Dehydroepiandrosterone: A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.. dehydroepiandrosterone : An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands.	6.93	1	0	17-oxo steroid; 3beta-hydroxy-Delta(5)-steroid; androstanoid	androgen; human metabolite; mouse metabolite
nadp [no description available]	2.03	1	0	NADP	fundamental metabolite
nad [no description available]	2.03	1	0	NAD	geroprotector
penicillin g Penicillin G: A penicillin derivative commonly used in the form of its sodium or potassium salts in the treatment of a variety of infections. It is effective against most gram-positive bacteria and against gram-negative cocci. It has also been used as an experimental convulsant because of its actions on GAMMA-AMINOBUTYRIC ACID mediated synaptic transmission.. benzylpenicillin : A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group.	2.05	1	0	penicillin allergen; penicillin	antibacterial drug; drug allergen; epitope
pilocarpine Pilocarpine: A slowly hydrolyzed muscarinic agonist with no nicotinic effects. Pilocarpine is used as a miotic and in the treatment of glaucoma.. (+)-pilocarpine : The (+)-enantiomer of pilocarpine.	2.34	2	0	pilocarpine	antiglaucoma drug
isoflurophate Isoflurophate: A di-isopropyl-fluorophosphate which is an irreversible cholinesterase inhibitor used to investigate the NERVOUS SYSTEM.	2.33	2	0	dialkyl phosphate
alanine Alanine: A non-essential amino acid that occurs in high levels in its free state in plasma. It is produced from pyruvate by transamination. It is involved in sugar and acid metabolism, increases IMMUNITY, and provides energy for muscle tissue, BRAIN, and the CENTRAL NERVOUS SYSTEM.. alanine : An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.	2.68	3	0	alanine zwitterion; alanine; L-alpha-amino acid; proteinogenic amino acid; pyruvate family amino acid	EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor; fundamental metabolite
serine Serine: A non-essential amino acid occurring in natural form as the L-isomer. It is synthesized from GLYCINE or THREONINE. It is involved in the biosynthesis of PURINES; PYRIMIDINES; and other amino acids.. serine : An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.	3.07	5	0	L-alpha-amino acid; proteinogenic amino acid; serine family amino acid; serine zwitterion; serine	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite
chloramphenicol Amphenicol: Chloramphenicol and its derivatives.	1.99	1	0	C-nitro compound; carboxamide; diol; organochlorine compound	antibacterial drug; antimicrobial agent; Escherichia coli metabolite; geroprotector; Mycoplasma genitalium metabolite; protein synthesis inhibitor
aspartic acid Aspartic Acid: One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.. aspartic acid : An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent. L-aspartic acid : The L-enantiomer of aspartic acid.	2.01	1	0	aspartate family amino acid; aspartic acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; mouse metabolite; neurotransmitter
glutamine Glutamine: A non-essential amino acid present abundantly throughout the body and is involved in many metabolic processes. It is synthesized from GLUTAMIC ACID and AMMONIA. It is the principal carrier of NITROGEN in the body and is an important energy source for many cells.. L-glutamine : An optically active form of glutamine having L-configuration.. glutamine : An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.	2.55	2	0	amino acid zwitterion; glutamine family amino acid; glutamine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
lysine Lysine: An essential amino acid. It is often added to animal feed.. lysine : A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6.. L-lysine : An L-alpha-amino acid; the L-isomer of lysine.	2.99	4	0	aspartate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; lysine; organic molecular entity; proteinogenic amino acid	algal metabolite; anticonvulsant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
cyanides Cyanides: Inorganic salts of HYDROGEN CYANIDE containing the -CN radical. The concept also includes isocyanides. It is distinguished from NITRILES, which denotes organic compounds containing the -CN radical.. cyanides : Salts and C-organyl derivatives of hydrogen cyanide, HC#N.. isocyanide : The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)).. cyanide : A pseudohalide anion that is the conjugate base of hydrogen cyanide.	3.1	5	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	2.1	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
apomorphine Apomorphine: A derivative of morphine that is a dopamine D2 agonist. It is a powerful emetic and has been used for that effect in acute poisoning. It has also been used in the diagnosis and treatment of parkinsonism, but its adverse effects limit its use.	1.96	1	0	aporphine alkaloid	alpha-adrenergic drug; antidyskinesia agent; antiparkinson drug; dopamine agonist; emetic; serotonergic drug
adenosine diphosphate Adenosine Diphosphate: Adenosine 5'-(trihydrogen diphosphate). An adenine nucleotide containing two phosphate groups esterified to the sugar moiety at the 5'-position.	4.32	6	0	adenosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	fundamental metabolite; human metabolite
2,3,4,6-tetrachlorophenol 2,3,4,6-tetrachlorophenol: RN given refers to parent cpd; see also record for tetrachlorophenol with locants for chloro groups not specified. 2,3,4,6-tetrachlorophenol : A tetrachlorophenol in which the chlorines are located at positions 2, 3, 4, and 6.	2.1	1	0	tetrachlorophenol	xenobiotic metabolite
kanamycin a Kanamycin: Antibiotic complex produced by Streptomyces kanamyceticus from Japanese soil. Comprises 3 components: kanamycin A, the major component, and kanamycins B and C, the minor components.. kanamycin : Kanamycin is a naturally occurring antibiotic complex from Streptomyces kanamyceticus that consists of several components: kanamycin A, the major component (also usually designated as kanamycin), and kanamycins B, C, D and X the minor components.	2.15	1	0	kanamycins	bacterial metabolite
carbostyril Quinolones: A group of derivatives of naphthyridine carboxylic acid, quinoline carboxylic acid, or NALIDIXIC ACID.. quinolin-2(1H)-one : A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.	2.88	3	0	monohydroxyquinoline; quinolone	bacterial xenobiotic metabolite
piperoxan Piperoxan: A benzodioxane alpha-adrenergic blocking agent with considerable stimulatory action. It has been used to diagnose PHEOCHROMOCYTOMA and as an antihypertensive agent.	1.96	1	0
edetic acid Edetic Acid: A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.	9.94	63	11	ethylenediamine derivative; polyamino carboxylic acid; tetracarboxylic acid	anticoagulant; antidote; chelator; copper chelator; geroprotector
tyrosine Tyrosine: A non-essential amino acid. In animals it is synthesized from PHENYLALANINE. It is also the precursor of EPINEPHRINE; THYROID HORMONES; and melanin.. tyrosine : An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.	2.39	2	0	amino acid zwitterion; erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid; proteinogenic amino acid; tyrosine	EC 1.3.1.43 (arogenate dehydrogenase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
phlorhizin [no description available]	1.92	1	0	aryl beta-D-glucoside; dihydrochalcones; monosaccharide derivative	antioxidant; plant metabolite
adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.	2.94	4	0	adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate	adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical
methylene blue Methylene Blue: A compound consisting of dark green crystals or crystalline powder, having a bronze-like luster. Solutions in water or alcohol have a deep blue color. Methylene blue is used as a bacteriologic stain and as an indicator. It inhibits GUANYLATE CYCLASE, and has been used to treat cyanide poisoning and to lower levels of METHEMOGLOBIN.. methylene blue : An organic chloride salt having 3,7-bis(dimethylamino)phenothiazin-5-ium as the counterion. A commonly used dye that also exhibits antioxidant, antimalarial, antidepressant and cardioprotective properties.	7.02	21	4	organic chloride salt	acid-base indicator; antidepressant; antimalarial; antimicrobial agent; antioxidant; cardioprotective agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; EC 4.6.1.2 (guanylate cyclase) inhibitor; fluorochrome; histological dye; neuroprotective agent; physical tracer
leucine Leucine: An essential branched-chain amino acid important for hemoglobin formation.. leucine : A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group.	2.78	3	0	amino acid zwitterion; L-alpha-amino acid; leucine; proteinogenic amino acid; pyruvate family amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
aniline [no description available]	7.96	4	0	anilines; primary arylamine
calcium acetate calcium acetate: a principal compound used as phosphate binders in patients with chronic renal failure; used like sevelamer. calcium acetate : The calcium salt of acetic acid. It is used, commonly as a hydrate, to treat hyperphosphataemia (excess phosphate in the blood) in patients with kidney disease: the calcium ion combines with dietary phosphate to form (insoluble) calcium phosphate, which is excreted in the faeces.	2.08	1	0	calcium salt	chelator
carbaryl Carbaryl: A carbamate insecticide and parasiticide. It is a potent anticholinesterase agent belonging to the carbamate group of reversible cholinesterase inhibitors. It has a particularly low toxicity from dermal absorption and is used for control of head lice in some countries.. carbaryl : A carbamate ester obtained by the formal condensation of 1-naphthol with methylcarbamic acid.	1.96	1	0	carbamate ester; naphthalenes	acaricide; agrochemical; carbamate insecticide; EC 3.1.1.7 (acetylcholinesterase) inhibitor; EC 3.1.1.8 (cholinesterase) inhibitor; plant growth retardant
cytidine monophosphate Cytidine Monophosphate: Cytidine (dihydrogen phosphate). A cytosine nucleotide containing one phosphate group esterified to the sugar moiety in the 2', 3' or 5' position.. cytidine 5'-monophosphate : A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.	1.96	1	0	cytidine 5'-phosphate; pyrimidine ribonucleoside 5'-monophosphate	Escherichia coli metabolite; human metabolite; mouse metabolite
lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose.	7.58	2	0	lactose
methionine Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.	8.1	5	0	aspartate family amino acid; L-alpha-amino acid; methionine zwitterion; methionine; proteinogenic amino acid	antidote to paracetamol poisoning; human metabolite; micronutrient; mouse metabolite; nutraceutical
dimethylformamide Dimethylformamide: A formamide in which the amino hydrogens are replaced by methyl groups.. N,N-dimethylformamide : A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups.	7.46	2	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
ampicillin Ampicillin: Semi-synthetic derivative of penicillin that functions as an orally active broad-spectrum antibiotic.. ampicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group.	2.03	1	0	beta-lactam antibiotic; penicillin allergen; penicillin	antibacterial drug
histidine Histidine: An essential amino acid that is required for the production of HISTAMINE.. L-histidine : The L-enantiomer of the amino acid histidine.. histidine : An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3.	2.41	2	0	amino acid zwitterion; histidine; L-alpha-amino acid; polar amino acid zwitterion; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
medroxyprogesterone acetate [no description available]	1.96	1	0	20-oxo steroid; 3-oxo-Delta(4) steroid; acetate ester; corticosteroid; steroid ester	adjuvant; androgen; antineoplastic agent; antioxidant; female contraceptive drug; inhibitor; progestin; synthetic oral contraceptive
threonine Threonine: An essential amino acid occurring naturally in the L-form, which is the active form. It is found in eggs, milk, gelatin, and other proteins.. threonine : An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group.	2.03	1	0	amino acid zwitterion; aspartate family amino acid; L-alpha-amino acid; proteinogenic amino acid; threonine	algal metabolite; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
alizarin [no description available]	2.13	1	0	dihydroxyanthraquinone	chromophore; dye; plant metabolite
cordycepin [no description available]	1.96	1	0	3'-deoxyribonucleoside; adenosines	antimetabolite; nucleoside antibiotic
isoleucine Isoleucine: An essential branched-chain aliphatic amino acid found in many proteins. It is an isomer of LEUCINE. It is important in hemoglobin synthesis and regulation of blood sugar and energy levels.. isoleucine : A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration.. L-isoleucine : The L-enantiomer of isoleucine.	2.03	1	0	aspartate family amino acid; isoleucine; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; plant metabolite; Saccharomyces cerevisiae metabolite
arginine Arginine: An essential amino acid that is physiologically active in the L-form.. arginine : An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.	4.28	6	0	arginine; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	biomarker; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical
acetylene [no description available]	2.5	2	0	alkyne; gas molecular entity; terminal acetylenic compound
methylamine methyl group : An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom.	1.98	1	0	methylamines; one-carbon compound; primary aliphatic amine	mouse metabolite
boranes Boranes: The collective name for the boron hydrides, which are analogous to the alkanes and silanes. Numerous boranes are known. Some have high calorific values and are used in high-energy fuels. (From Grant & Hackh's Chemical Dictionary, 5th ed). borane : The simplest borane, consisting of a single boron atom carrying three hydrogens.. boranes : The molecular hydrides of boron.	2.06	1	0	boranes; mononuclear parent hydride
propane Propane: A three carbon alkane with the formula H3CCH2CH3.	2	1	0	alkane; gas molecular entity	food propellant
ethylamine ethylamine : A two-carbon primary aliphatic amine.	2.37	2	0	primary aliphatic amine	human metabolite
acetonitrile acetonitrile: RN given refers to unlabeled cpd. acetonitrile : A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group.	5	37	0	aliphatic nitrile; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; NMR chemical shift reference compound; polar aprotic solvent
methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea.	2.39	2	0	chloromethanes; volatile organic compound	carcinogenic agent; polar aprotic solvent; refrigerant
methylene iodide methylene iodide: RN given refers to parent cpd	2.05	1	0
ethylene oxide Ethylene Oxide: A colorless and flammable gas at room temperature and pressure. Ethylene oxide is a bactericidal, fungicidal, and sporicidal disinfectant. It is effective against most micro-organisms, including viruses. It is used as a fumigant for foodstuffs and textiles and as an agent for the gaseous sterilization of heat-labile pharmaceutical and surgical materials. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p794). oxirane : A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom.	2.08	1	0	gas molecular entity; oxacycle; saturated organic heteromonocyclic parent	allergen; mouse metabolite; mutagen
tetramethylammonium tetramethylammonium: RN given refers to parent cpd. tetramethylammonium : The simplest quaternary ammonium cation, comprising a central nitrogen linked to four methyl groups.	1.96	1	0	quaternary ammonium ion
methanesulfonic acid [no description available]	2.02	1	0	alkanesulfonic acid; one-carbon compound	Escherichia coli metabolite
trichloroacetic acid Trichloroacetic Acid: A strong acid used as a protein precipitant in clinical chemistry and also as a caustic for removing warts.. trichloroacetic acid : A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine.	2	1	0	monocarboxylic acid; organochlorine compound	carcinogenic agent; metabolite; mouse metabolite
trifluoroacetic acid Trifluoroacetic Acid: A very strong halogenated derivative of acetic acid. It is used in acid catalyzed reactions, especially those where an ester is cleaved in peptide synthesis.. trifluoroacetic acid : A monocarboxylic acid that is the trifluoro derivative of acetic acid.	3.13	5	0	fluoroalkanoic acid	human xenobiotic metabolite; NMR chemical shift reference compound; reagent
phencyclidine Phencyclidine: A hallucinogen formerly used as a veterinary anesthetic, and briefly as a general anesthetic for humans. Phencyclidine is similar to KETAMINE in structure and in many of its effects. Like ketamine, it can produce a dissociative state. It exerts its pharmacological action through inhibition of NMDA receptors (RECEPTORS, N-METHYL-D-ASPARTATE). As a drug of abuse, it is known as PCP and Angel Dust.. phencyclidine : A member of the class of piperidines that is piperidine in which the nitrogen is substituted with a 1-phenylcyclohexyl group. Formerly used as an anaesthetic agent, it exhibits both hallucinogenic and neurotoxic effects.	2.52	2	0	benzenes; piperidines	anaesthetic; neurotoxin; NMDA receptor antagonist; psychotropic drug
divinyl sulfone divinyl sulfone: cross-linking reagent for agarose gels. divinyl sulfone : A sulfone compound having two S-vinyl substituents.	2.11	1	0	sulfone	cross-linking reagent
tromethamine Tromethamine: An organic amine proton acceptor. It is used in the synthesis of surface-active agents and pharmaceuticals; as an emulsifying agent for cosmetic creams and lotions, mineral oil and paraffin wax emulsions, as a biological buffer, and used as an alkalizer. (From Merck, 11th ed; Martindale, The Extra Pharmacopoeia, 30th ed, p1424)	2.25	1	0	primary amino compound; triol	buffer
tri-o-cresyl phosphate tri-o-cresyl phosphate: see also related IMOL S-140	1.97	1	0
triethyl phosphate triethyl phosphate: structure. triethyl phosphate : A trialkyl phosphate that is the triethy ester derivative of phosphoric acid.	2.05	1	0	trialkyl phosphate
isoprene isoprene: used in manufacture of ''synthetic'' rubber, butyl rubber; copolymer in production of elastomers; structure. isoprene : A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds.	4.35	4	1	alkadiene; hemiterpene; volatile organic compound	plant metabolite
acrylic acid acrylic acid: RN given refers to parent cpd. acrylic acid : A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group.	13.59	45	10	alpha,beta-unsaturated monocarboxylic acid	metabolite
peracetic acid Peracetic Acid: A liquid that functions as a strong oxidizing agent. It has an acrid odor and is used as a disinfectant.. peracetic acid : A peroxy acid that is acetic acid in which the OH group is substituted by a hydroperoxy group. It is a versatile oxidising agent that is used as a disinfectant.	2.41	2	0	a peroxy acid	disinfectant; oxidising agent
dichloroacetic acid [no description available]	2.01	1	0	monocarboxylic acid; organochlorine compound	astringent; marine metabolite
pantothenic acid Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration.	2.07	1	0	pantothenic acid; vitamin B5	antidote to curare poisoning; geroprotector; human blood serum metabolite
bisphenol a 4,4'-isopropylidene diphenol: stimulates proliferative responses and cytokine productions of murine spleen cells and thymus cells in vitro. bisphenol : By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom.. bisphenol A : A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups.	2.78	3	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
methylmethacrylate Methylmethacrylate: The methyl ester of methacrylic acid. It polymerizes easily to form POLYMETHYL METHACRYLATE. It is used as a bone cement.. methyl methacrylate : An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.	3.04	4	0	enoate ester; methyl ester	allergen; polymerisation monomer
rhodamine b rhodamine B: RN & N1 from 9th CI Form Index; RN given refers to parent cpd; structure in Merck Index, 9th ed, #7973; TETRAETHYLRHODAMINE was see RHODAMINES 1975-93; use RHODAMINES to search TETRAETHYLRHODAMINE 1975-93. rhodamine B : An organic chloride salt having N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium as the counterion. An amphoteric dye commonly used as a fluorochrome.	4.53	5	1	organic chloride salt; xanthene dye	fluorescent probe; fluorochrome; histological dye
xylitol xylooligosaccharide: structure in first source. pentitol : An alditol obtained by reduction of any pentose.. xylooligosaccharide : An oligosaccharide comprised of xylose residues.	2.74	3	0
picric acid picric acid: used as antiseptic, astringent & stimulant for epitheliazation; structure. picric acid : A C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions.	1.96	1	0	C-nitro compound	antiseptic drug; explosive; fixative
anthrone anthrone: used in colorimetric determination of sugar & animal starch in body fluids; structure. anthrone : A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9.	7.6	1	0	anthracenone	radical scavenger
xanthone xanthone : The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9.	7.21	1	0	xanthones	insecticide
quinoline [no description available]	2.21	1	0	azaarene; mancude organic heterobicyclic parent; ortho-fused heteroarene; quinolines
isatin tribulin: endogenous MONOAMINE OXIDASE inhibitory activity extractable into ethyl acetate found in brain and many mammalian tissues and fluids; ISATIN is a major component; produced in excess following alcohol withdrawal;	7.85	3	0	indoledione	EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
2-naphthylamine 2-Naphthylamine: A naphthalene derivative with carcinogenic action.. 2-naphthylamine : A naphthylamine carrying the amino group at position 2.	2.08	1	0	naphthylamine	carcinogenic agent
tolonium chloride Tolonium Chloride: A phenothiazine that has been used as a hemostatic, a biological stain, and a dye for wool and silk. Tolonium chloride has also been used as a diagnostic aid for oral and gastric neoplasms and in the identification of the parathyroid gland in thyroid surgery.. tolonium chloride : An organic chloride salt having 3-amino-7-(dimethylamino)-2-methylphenothiazin-5-ium (tolonium) as the counterion. It is a blue nuclear counterstain that can be used to demonstrate Nissl substance and is also useful for staining mast cell granules, both in metachromatic and orthochromatic techniques.	1.97	1	0
pyronine Pyronine: Xanthene dye used as a bacterial and biological stain. Synonyms: Pyronin; Pyronine G; Pyronine Y. Use also for Pyronine B. which is diethyl-rather than dimethylamino-.. pyronin Y : An organic chloride salt having 6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium as the cation. Used with methyl green to selectively demonstrate RNA (red) in contrast to DNA (green) with the Unna-Pappenheim method.	1.92	1	0	iminium salt; organic chloride salt	histological dye
diphenyl diphenyl: RN given refers to unlabeled cpd; structure	2.87	3	0	aromatic fungicide; benzenes; biphenyls	antifungal agrochemical; antimicrobial food preservative
xanthenes Xanthenes: Compounds with three aromatic rings in linear arrangement with an OXYGEN in the center ring.	2.75	3	0	xanthene
benzidine benzidine: RN given refers to parent cpd. benzidine : A member of the class of biphenyls that is 1,1'-biphenyl in which the hydrogen at the para-position of each phenyl group has been replaced by an amino group.	2.4	2	0	biphenyls; substituted aniline	carcinogenic agent
propylparaben Parabens: Methyl, propyl, butyl, and ethyl esters of p-hydroxybenzoic acid. They have been approved by the FDA as antimicrobial agents for foods and pharmaceuticals. (From Hawley's Condensed Chemical Dictionary, 11th ed, p872)	2.08	1	0	benzoate ester; paraben; phenols	antifungal agent; antimicrobial agent
benzoyl peroxide Benzoyl Peroxide: A peroxide derivative that has been used topically for BURNS and as a dermatologic agent in the treatment of ACNE and POISON IVY DERMATITIS. It is used also as a bleach in the food industry.	1.99	1	0	carbonyl compound
2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2.	7.11	1	0	dichlorobenzene	hepatotoxic agent; metabolite
alpha-chlorohydrin alpha-Chlorohydrin: A chlorinated PROPANEDIOL with antifertility activity in males used as a chemosterilant in rodents.. 3-chloropropane-1,2-diol : A chloropropane-1,2-diol that is propane-1,2-diol substituted by a chloro group at position 3.	2.61	2	0	chloropropane-1,2-diol
4-butyrolactone 4-Butyrolactone: One of the FURANS with a carbonyl thereby forming a cyclic lactone. It is an endogenous compound made from gamma-aminobutyrate and is the precursor of gamma-hydroxybutyrate. It is also used as a pharmacological agent and solvent.. tetrahydrofuranone : Any oxolane having an oxo- substituent at any position on the tetrahydrofuran ring.. gamma-butyrolactone : A butan-4-olide that is tetrahydrofuran substituted by an oxo group at position 2.	2.03	1	0	butan-4-olide	metabolite; neurotoxin
ethylene dimethacrylate ethylene glycol dimethacrylate : The enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol.	2.1	1	0	enoate ester	allergen; cross-linking reagent; polymerisation monomer
furaldehyde Furaldehyde: A heterocyclic compound consisting of a furan where the hydrogen at position 2 is substituted by a formyl group.. furfural : An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group.	2.98	4	0	aldehyde; furans	Maillard reaction product; metabolite
p-tert-butyl catechol [no description available]	2.03	1	0
pyrrolidonecarboxylic acid Pyrrolidonecarboxylic Acid: A cyclized derivative of L-GLUTAMIC ACID. Elevated blood levels may be associated with problems of GLUTAMINE or GLUTATHIONE metabolism.. 5-oxo-L-proline : An optically active form of 5-oxoproline having L-configuration.	2.02	1	0	5-oxoproline; L-proline derivative; non-proteinogenic L-alpha-amino acid	algal metabolite
acetophenone acetophenone : A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.	7.78	3	0	acetophenones	animal metabolite; photosensitizing agent; xenobiotic
styrene Styrene: A colorless, toxic liquid with a strong aromatic odor. It is used to make rubbers, polymers and copolymers, and polystyrene plastics.. styrene : A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species.	2.08	1	0	styrenes; vinylarene; volatile organic compound	mouse metabolite; mutagen; plant metabolite
triethanolamine triethanolamine: RN given refers to parent cpd. triethanolamine : A tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group.	2.02	1	0	amino alcohol; tertiary amino compound; triol	buffer; surfactant
boric acid [no description available]	9.22	5	0	boric acids	astringent
epichlorohydrin Epichlorohydrin: A chlorinated epoxy compound used as an industrial solvent. It is a strong skin irritant and carcinogen.. epichlorohydrin : An epoxide that is 1,2-epoxypropene in which one of the methyl hydrogens is substituted by chlorine.	2.08	1	0	epoxide; organochlorine compound
1,3-butadiene buta-1,3-diene : A butadiene with unsaturation at positions 1 and 3.	2.08	1	0	butadiene	carcinogenic agent; mutagen
propylamine propylamine : A member of the class of alkylamines that is propane substituted by an amino group at C-1.	1.98	1	0	alkylamines
acrylonitrile [no description available]	2.08	1	0	aliphatic nitrile; volatile organic compound	antifungal agent; carcinogenic agent; fungal metabolite; mutagen; polar aprotic solvent
allyl alcohol allyl alcohol: structure. allylic alcohol : An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.).. allyl alcohol : A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds.	2.49	2	0	primary allylic alcohol; propenol	antibacterial agent; fungicide; herbicide; insecticide; plant metabolite
sarin Sarin: An organophosphorus ester compound that produces potent and irreversible inhibition of cholinesterase. It is toxic to the nervous system and is a chemical warfare agent.. isopropyl methylphosphonofluoridate : A phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid.. sarin : A racemate composed of equal amounts of (R)- and (S)-sarin. A potent and irreversible inhibitor of acetylcholinesterase that is toxic to the nervous system and is employed as a chemical warfare agent.	2.05	1	0	fluorine molecular entity; phosphinic ester
2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning.	2.05	1	0	alkane
chlorobenzene [no description available]	2.06	1	0	monochlorobenzenes	solvent
cyclohexanone [no description available]	2.06	1	0	cyclohexanones	human xenobiotic metabolite
triethylene glycol dimethacrylate [no description available]	9.33	32	7
diethylamine [no description available]	2.4	2	0	secondary aliphatic amine
vinyl ether vinyl ether: major descriptor (65-85); on-line search VINYL COMPOUNDS (66-85); Index Medicus search VINYL ETHER (65-85)	2.1	1	0	ether
pyrroles 1H-pyrrole : A tautomer of pyrrole that has the double bonds at positions 2 and 4.. pyrrole : A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'.. azole : Any monocyclic heteroarene consisting of a five-membered ring containing nitrogen. Azoles can also contain one or more other non-carbon atoms, such as nitrogen, sulfur or oxygen.	8.95	12	0	pyrrole; secondary amine
tetrahydrofuran oxolane : A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen.	2.94	4	0	cyclic ether; oxolanes; saturated organic heteromonocyclic parent; volatile organic compound	polar aprotic solvent
thiophenes Thiophenes: A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.. thiophenes : Compounds containing at least one thiophene ring.	2	1	0	mancude organic heteromonocyclic parent; monocyclic heteroarene; thiophenes; volatile organic compound	non-polar solvent
cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon.	2.21	1	0	cycloalkane; volatile organic compound	non-polar solvent
piperidine [no description available]	2.1	1	0	azacycloalkane; piperidines; saturated organic heteromonocyclic parent; secondary amine	base; catalyst; human metabolite; non-polar solvent; plant metabolite; protic solvent; reagent
diethylene glycol glycol ether : A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics.	2.04	1	0	hydroxyether
stearyl alcohol octadecan-1-ol : A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms.. octadecanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eighteen carbon atoms.	2.03	1	0	long-chain primary fatty alcohol; octadecanol	algal metabolite; human metabolite; plant metabolite
isobutylene 2-methylprop-1-ene : An alkene that is prop-1-ene substituted by a methyl group at position 2.	2.11	1	0	alkene; gas molecular entity
mephobarbital Mephobarbital: A barbiturate that is metabolized to PHENOBARBITAL. It has been used for similar purposes, especially in EPILEPSY, but there is no evidence mephobarbital offers any advantage over PHENOBARBITAL.. mephobarbital : A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.	1.96	1	0	barbiturates	anticonvulsant
triphenyl phosphate triphenyl phosphate: structure. triphenyl phosphate : An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol.	2.15	1	0	aryl phosphate	flame retardant; plasticiser
ortho-hydroxybenzophenone ortho-hydroxybenzophenone: structure in first source. hydroxybenzophenone : Any benzophenone into which is substituted one or more hydroxy groups.	7.06	1	0
framycetin Framycetin: A component of NEOMYCIN that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed). framycetin : A tetracyclic antibacterial agent derived from neomycin, being a glycoside ester of neamine and neobiosamine B.	2.15	1	0	aminoglycoside	allergen; antibacterial drug; Escherichia coli metabolite
triethylamine [no description available]	3.43	7	0	tertiary amine
2-naphthol 2-naphthol: RN given refers to parent cpd. 2-naphthol : A naphthol carrying a hydroxy group at position 2.. naphthols : Any hydroxynaphthalene derivative that has a single hydroxy substituent.	4.21	15	0	naphthol	antinematodal drug; genotoxin; human urinary metabolite; human xenobiotic metabolite; mouse metabolite; radical scavenger
protocatechualdehyde protocatechualdehyde: found in wheat grains, wheat seedlings, & other plants; RN given refers to parent cpd; see also rancinamycins; structure	2.02	1	0	dihydroxybenzaldehyde
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	2.41	2	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
yohimbine Yohimbine: A plant alkaloid with alpha-2-adrenergic blocking activity. Yohimbine has been used as a mydriatic and in the treatment of ERECTILE DYSFUNCTION.. yohimbine : An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina.	1.96	1	0	methyl 17-hydroxy-20xi-yohimban-16-carboxylate	alpha-adrenergic antagonist; dopamine receptor D2 antagonist; serotonergic antagonist
diphenhydramine hydrochloride Antitussive Agents: Agents that suppress cough. They act centrally on the medullary cough center. EXPECTORANTS, also used in the treatment of cough, act locally.. diphenhydramine hydrochloride : The hydrochloride salt of diphenhydramine.	1.98	1	0	hydrochloride; organoammonium salt	anti-allergic agent; antiemetic; antiparkinson drug; antipruritic drug; H1-receptor antagonist; local anaesthetic; muscarinic antagonist; sedative
aziridine [no description available]	2.1	1	0	azacycloalkane; aziridines; saturated organic heteromonocyclic parent	alkylating agent
catechin Catechin: An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.. catechin : Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives.. rac-catechin : A racemate comprising equimolar amounts of (+)- and (-)-catechin. (+)-catechin : The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite.	2.75	3	0	catechin	antioxidant; plant metabolite
thiamine pyrophosphate Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate.	2.33	2	0	organic chloride salt; vitamin B1
1,3-benzodioxole 1,3-benzodioxole : A benzodioxole consisting of a benzene ring substituted by a the methylenedioxy group.	2.07	1	0	benzodioxole
triethylenediamine triethylenediamine: RN given refers to parent cpd. triethylenediamine : An organic heterobicylic compound that is piperazine with an ethane-1,2-diyl group forming a bridge between N1 and N4. It is typically used as a catalyst in polymerization reactions.	6.93	1	0	bridged compound; diamine; saturated organic heterobicyclic parent; tertiary amino compound	antioxidant; catalyst; reagent
cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution.	2.31	1	0	cycloalkane; cyclopentanes; volatile organic compound	non-polar solvent
isoxazoles Isoxazoles: Azoles with an OXYGEN and a NITROGEN next to each other at the 1,2 positions, in contrast to OXAZOLES that have nitrogens at the 1,3 positions.. isoxazole : A monocyclic heteroarene with a structure consisting of a 5-membered ring containing three carbon atoms and an oxygen and nitrogen atom adjacent to each other. It is the parent of the class of isoxazoles.. isoxazoles : Oxazoles in which the N and O atoms are adjacent.	2.87	3	0	isoxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
oxazoles Oxazoles: Five-membered heterocyclic ring structures containing an oxygen in the 1-position and a nitrogen in the 3-position, in distinction from ISOXAZOLES where they are at the 1,2 positions.. 1,3-oxazole : A five-membered monocyclic heteroarene that is an analogue of cyclopentadiene with O in place of CH2 at position 1 and N in place of CH at position 3.. oxazole : An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom.	2.07	1	0	1,3-oxazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
thiazoles [no description available]	2.72	3	0	1,3-thiazoles; mancude organic heteromonocyclic parent; monocyclic heteroarene
pyrazines Pyrazines: A heterocyclic aromatic organic compound with the chemical formula C4H4N2.. pyrazine : A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms.	2.52	2	0	diazine; pyrazines	Daphnia magna metabolite
di-2-(ethylhexyl)phosphoric acid di-2-(ethylhexyl)phosphoric acid: RN given refers to parent cpd	2.41	2	0
calcium gluconate [no description available]	2.42	2	0	calcium salt	nutraceutical
paraoxon [no description available]	2.37	2	0	aryl dialkyl phosphate; organophosphate insecticide	EC 3.1.1.7 (acetylcholinesterase) inhibitor; mouse metabolite
opipramol Opipramol: A tricyclic antidepressant with actions similar to AMITRIPTYLINE.	2.1	1	0	dibenzoazepine
citrulline citrulline : The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position.	2.31	1	0	amino acid zwitterion; citrulline	Daphnia magna metabolite; EC 1.14.13.39 (nitric oxide synthase) inhibitor; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; protective agent; Saccharomyces cerevisiae metabolite
perfluorobutyric acid perfluorobutyric acid: ion pairing reagent; RN given refers to parent cpd. perfluorobutyric acid : A monocarboxylic acid that is perfluorinated butyric acid.	2.03	1	0	fluoroalkanoic acid	chromatographic reagent; environmental contaminant; xenobiotic
prenylamine Prenylamine: A drug formerly used in the treatment of angina pectoris but superseded by less hazardous drugs. Prenylamine depletes myocardial catecholamine stores and has some calcium channel blocking activity. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1406)	1.96	1	0	diarylmethane
trifluoroacetic anhydride [no description available]	2.77	3	0
silicon carbide silicon carbide: fibers used for reinforcement of porcelain crowns; a feldspathic body (gingival) porcelain; used to coat titanium hip prostheses	7.79	18	4	organosilicon compound
ketobemidone ketobemidone: structure	1.96	1	0	piperidines
limestone Calcium Carbonate: Carbonic acid calcium salt (CaCO3). An odorless, tasteless powder or crystal that occurs in nature. It is used therapeutically as a phosphate buffer in hemodialysis patients and as a calcium supplement.. calcium carbonate : A calcium salt with formula CCaO3.	9.62	9	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
cytisine [no description available]	1.96	1	0	alkaloid; bridged compound; lactam; organic heterotricyclic compound; secondary amino compound	nicotinic acetylcholine receptor agonist; phytotoxin; plant metabolite
adenosine phosphosulfate Adenosine Phosphosulfate: 5'-Adenylic acid, monoanhydride with sulfuric acid. The initial compound formed by the action of ATP sulfurylase on sulfate ions after sulfate uptake. Synonyms: adenosine sulfatophosphate; APS.. 5'-adenylyl sulfate : An adenosine 5'-phosphate having a sulfo group attached to one the phosphate OH groups.	2.05	1	0	acyl monophosphate; acyl sulfate; adenosine 5'-phosphate	Escherichia coli metabolite; mouse metabolite
bufotenin Bufotenin: A hallucinogenic serotonin analog found in frog or toad skins, mushrooms, higher plants, and mammals, especially in the brains, plasma, and urine of schizophrenics. Bufotenin has been used as a tool in CNS studies and misused as a psychedelic.. bufotenin : A tertiary amine that consists of N,N-dimethyltryptamine bearing an additional hydroxy substituent at position 5.	1.96	1	0	tertiary amine; tryptamine alkaloid	coral metabolite; hallucinogen
fructose-1,6-diphosphate beta-D-fructofuranose 1,6-bisphosphate : A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position.	1.96	1	0	D-fructofuranose 1,6-bisphosphate	mouse metabolite
phenylpropanolamine Phenylpropanolamine: A sympathomimetic that acts mainly by causing release of NOREPINEPHRINE but also has direct agonist activity at some adrenergic receptors. It is most commonly used as a nasal vasoconstrictor and an appetite depressant.. phenylpropanolamine : An amphetamine in which the parent 1-phenylpropan-2-amine skeleton is substituted at position 1 with an hydroxy group. A decongestant and appetite suppressant, it is commonly used in prescription and over-the-counter cough and cold preparations.. (-)-norephedrine : An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1R,2S-stereoisomer). It is a plant alkaloid.	2.03	1	0	amphetamines; phenethylamine alkaloid	plant metabolite
indoline indoline: structure given in first source	7.78	3	0	indoles
sodium carbonate sodium carbonate: used topically for dermatitides, mouthwash, vaginal douche; veterinary use as emergency emetic; RN given refers to carbonic acid, di-Na salt; structure	2.74	3	0	carbonate salt; organic sodium salt
orcinol orcinol: used as reagent for pentoses, lignin, beet sugar, saccharoses, arabinose & diastase; RN given refers to parent cpd; structure. orcinol : A 5-alkylresorcinol in which the alkyl group is specified as methyl.	6.94	1	0	5-alkylresorcinol; dihydroxytoluene	Aspergillus metabolite
thiazolidines Thiazolidines: Reduced (protonated) form of THIAZOLES. They can be oxidized to THIAZOLIDINEDIONES.	1.98	1	0	thiazolidine
cyanogen chloride cyanogen chloride: structure	2.11	1	0
thioacetic acid ethanethioic S-acid : A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom.	1.96	1	0	thioacetic acid
trimethyl phosphate trimethyl phosphate: request from searcher; structure. trimethyl phosphate : A trialkyl phosphate that is the trimethyl ester of phosphoric acid.	2.01	1	0	trialkyl phosphate	insect attractant; NMR chemical shift reference compound
2-acetylbutyrolactone 2-acetylbutyrolactone: reagent for heterocycle synthesis	2.03	1	0	gamma-lactone
hematoxylin Hematoxylin: A dye obtained from the heartwood of logwood (Haematoxylon campechianum Linn., Leguminosae) used as a stain in microscopy and in the manufacture of ink.	2.25	1	0	organic heterotetracyclic compound; oxacycle; polyphenol; tertiary alcohol	histological dye; plant metabolite
dihydrotestosterone Dihydrotestosterone: A potent androgenic metabolite of TESTOSTERONE. It is produced by the action of the enzyme 3-OXO-5-ALPHA-STEROID 4-DEHYDROGENASE.. 17beta-hydroxyandrostan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4-5 double bond has been reduced to a single bond with unspecified configuration at position 5.. 17beta-hydroxy-5alpha-androstan-3-one : A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.	1.96	1	0	17beta-hydroxy steroid; 17beta-hydroxyandrostan-3-one; 3-oxo-5alpha-steroid	androgen; Daphnia magna metabolite; human metabolite; mouse metabolite
gluconic acid gluconic acid: zinc gluconate has anti-inflammatory activity; RN given refers to (D)-isomer; all RRs refers to (D)-isomer unless otherwise noted. ketogluconic acid : A gluconic acid that contains a ketonic carbonyl group.. D-gluconic acid : A gluconic acid having D-configuration.	2.06	1	0	gluconic acid	chelator; Penicillium metabolite
copper gluconate Gluconates: Derivatives of gluconic acid (the structural formula HOCH2(CHOH)4COOH), including its salts and esters.	2.06	1	0	organic molecular entity
trimellitic acid trimellitic acid: RN given refers to parent cpd; structure. trimellitic acid : Benzene substituted at the 1,2, and 4 positions by carboxy groups.	1.96	1	0	tricarboxylic acid
cellobiose beta-cellobiose : A cellobiose with beta configuration at the reducing-end glucose residue.	2.44	2	0	cellobiose	epitope
coumarin-3-carboxylic acid coumarin-3-carboxylic acid: structure given in first source	1.99	1	0	coumarins
dicyclohexylcarbodiimide 1,3-dicyclohexylcarbodiimide : A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms.	2.01	1	0	carbodiimide	ATP synthase inhibitor; cross-linking reagent; peptide coupling reagent
aminoacetonitrile Aminoacetonitrile: Cyanomethylamine.	1.93	1	0
malondialdehyde Malondialdehyde: The dialdehyde of malonic acid.. malonaldehyde : A dialdehyde that is propane substituted by two oxo groups at the terminal carbon atoms respectively. A biomarker of oxidative damage to lipids caused by smoking, it exists in vivo mainly in the enol form.	1.98	1	0	dialdehyde	biomarker
magnesium carbonate magnesium carbonate: RN given refers to parent cpd (1:1). magnesium carbonate : A magnesium salt with formula CMgO3. Its hydrated forms, particularly the di-, tri-, and tetrahydrates occur as minerals.	2.45	2	0	carbonate salt; magnesium salt; one-carbon compound; organic magnesium salt	antacid; fertilizer
8-hydroxy-7-iodo-5-quinolinesulfonic acid 8-hydroxy-7-iodo-5-quinolinesulfonic acid: used with iodine isotopes in radioisotope scanning; structure	2	1	0	hydroxyquinoline
eosine yellowish-(ys) Eosine Yellowish-(YS): A versatile red dye used in cosmetics, pharmaceuticals, textiles, etc., and as tissue stain, vital stain, and counterstain with HEMATOXYLIN. It is also used in special culture media.. eosin YS dye : An organic sodium salt that is 2',4',5',7'-tetrabromofluorescein in which the carboxy group and the phenolic hydroxy group have been deprotonated and the resulting charge is neutralised by two sodium ions.	4.18	3	1	organic sodium salt; organobromine compound	fluorochrome; histological dye
gentian violet Gentian Violet: A dye that is a mixture of violet rosanilinis with antibacterial, antifungal, and anthelmintic properties.. crystal violet : An organic chloride salt that is the monochloride salt of crystal violet cation. It has been used in creams for the topical treatment of bacterial and fungal infections, being effective against some Gram-positive bacteria (notably Staphylococcus species) and some pathogenic fungi (including Candida species) but use declined following reports of animal carcinogenicity. It has also been used for dying wood, silk, and paper, as well as a histological stain.	2.4	2	0	organic chloride salt	anthelminthic drug; antibacterial agent; antifungal agent; antiseptic drug; histological dye
resazurin resazurin: used as indicator in detection of hyposulfite (sulfoxylate); in food research (reductase test); structure	2.13	1	0	phenoxazine
glycyl-glycyl-glycine glycyl-glycyl-glycine : A tripeptide in which three glycine units are linked via peptide bonds in a linear sequence.	2.05	1	0	tripeptide zwitterion; tripeptide
glycidol glycidol: structure given in first source	2.25	1	0	epoxide; primary alcohol
malachite green malachite green: RN given refers to parent cpd; structure. malachite green : An organic chloride salt that is the monochloride salt of malachite green cation. Used as a green-coloured dye, as a counter-stain in histology, and for its anti-fungal properties in aquaculture.	2.44	2	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
diphenylamine Diphenylamine: In humans it may be irritating to mucous membranes. Methemoglobinemia has been produced experimentally. In veterinary use, it is one of active ingredients in topical agents for prevention and treatment of screwworm infestation. An indicator in tests for nitrate poisoning.. diphenylamine : An aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this purpose within the European Union.	7.42	2	0	aromatic amine; bridged diphenyl fungicide; secondary amino compound	antifungal agrochemical; antioxidant; carotogenesis inhibitor; EC 1.3.99.29 [phytoene desaturase (zeta-carotene-forming)] inhibitor; ferroptosis inhibitor; radical scavenger
1,1'-binaphthyl 1,1'-binaphthyl: structure in first source	2.06	1	0
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.1	1	0	acetylcysteine; L-cysteine derivative; N-acetyl-L-amino acid	antidote to paracetamol poisoning; antiinfective agent; antioxidant; antiviral drug; ferroptosis inhibitor; geroprotector; human metabolite; mucolytic; radical scavenger; vulnerary
2,6-dichloro-4-nitrophenol [no description available]	1.97	1	0
c.i. 42510 Rosaniline Dyes: Compounds that contain the triphenylmethane aniline structure found in rosaniline. Many of them have a characteristic magenta color and are used as COLORING AGENTS.. basic fuchsin : A four-component mixture of chemically related dyes comprising pararosanilin, rosanilin, magenta II and new fuchsin in varying amounts. rosanilin : A hydrochloride that is the monohydrochloride of 4-[(4-aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline. One of the major constituents of Basic fuchsin, together with pararosanilin, magenta II and new fuchsin.	8.04	32	8
erythromycin Erythromycin: A bacteriostatic antibiotic macrolide produced by Streptomyces erythreus. Erythromycin A is considered its major active component. In sensitive organisms, it inhibits protein synthesis by binding to 50S ribosomal subunits. This binding process inhibits peptidyl transferase activity and interferes with translocation of amino acids during translation and assembly of proteins.. erythromycin : Any of several wide-spectrum macrolide antibiotics obtained from actinomycete Saccharopolyspora erythraea (formerly known as Streptomyces erythraeus).. erythromycin A : An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.	2.15	1	0	cyclic ketone; erythromycin
2-piperidone 2-piperidone: structure given in first source. piperidin-2-one : A delta-lactam that is piperidine which is substituted by an oxo group at position 2.	2.15	1	0	delta-lactam; piperidones	EC 1.2.1.88 (L-glutamate gamma-semialdehyde dehydrogenase) inhibitor
phenylphosphate phenylphosphate: structure given in first source. phenyl phosphate : An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.	2.01	1	0	aryl phosphate	mouse metabolite
diethyl chlorophosphate diethylchlorophosphate: structure in first source	2.05	1	0
calcium lactate [no description available]	2.01	1	0
hydroxyethyl methacrylate hydroxyethyl methacrylate: many of cited refs are for gel which refers to polymeric form of above cpd: POLYHYDROXYETHYL METHACRYLATE. 2-hydroxyethyl methacrylate : An enoate ester that is the monomethacryloyl derivative of ethylene glycol.	8.84	37	6	enoate ester	allergen; polymerisation monomer
methylphosphonic acid methylphosphonic acid : A one-carbon compound that is phosphonic acid in which the hydrogen attached to the phosphorus is substituted by a methyl group.	1.98	1	0	one-carbon compound; phosphonic acids
cyanoacetylene cyanoacetylene: structure in first source	2.03	1	0
nicotinamide mononucleotide Nicotinamide Mononucleotide: 3-Carbamoyl-1-beta-D-ribofuranosyl pyridinium hydroxide-5'phosphate, inner salt. A nucleotide in which the nitrogenous base, nicotinamide, is in beta-N-glycosidic linkage with the C-1 position of D-ribose. Synonyms: Nicotinamide Ribonucleotide; NMN.	2.03	1	0	nicotinamide mononucleotide	Escherichia coli metabolite; mouse metabolite
durapatite Durapatite: The mineral component of bones and teeth; it has been used therapeutically as a prosthetic aid and in the prevention and treatment of osteoporosis.. hydroxylapatite : A phosphate mineral with the formula Ca5(PO4)3(OH).	6.38	37	1
cadmium sulfide [no description available]	2.11	1	0	cadmium molecular entity
potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH	5.05	9	1	alkali metal hydroxide
sodium hydroxide Sodium Hydroxide: A highly caustic substance that is used to neutralize acids and make sodium salts. (From Merck Index, 11th ed)	9.44	21	0	alkali metal hydroxide
manganese dioxide [no description available]	2.08	1	0	manganese molecular entity; metal oxide
molybdenum trioxide [no description available]	2.06	1	0	molybdenum oxide
zinc oxide Zinc Oxide: A mild astringent and topical protectant with some antiseptic action. It is also used in bandages, pastes, ointments, dental cements, and as a sunblock.	5.15	10	1	zinc molecular entity
hydrofluoric acid Hydrofluoric Acid: Hydrofluoric acid. A solution of hydrogen fluoride in water. It is a colorless fuming liquid which can cause painful burns.. hydrogen fluoride : A diatomic molecule containing covalently bonded hydrogen and fluorine atoms.. organofluorine compound : An organofluorine compound is a compound containing at least one carbon-fluorine bond.	7.62	40	4	hydrogen halide; mononuclear parent hydride	NMR chemical shift reference compound
ammonium hydroxide Ammonium Hydroxide: The hydroxy salt of ammonium ion. It is formed when AMMONIA reacts with water molecules in solution.. ammonium hydroxide : A solution of ammonia in water.	2.07	1	0	inorganic hydroxy compound	food acidity regulator
n-(1-naphthyl)ethylenediamine N-(1-naphthyl)ethylenediamine : An N-substituted ethylenediamine compound having 1-naphthyl as the substituent.	2.03	1	0	N-substituted diamine
bisphenol a-glycidyl methacrylate Bisphenol A-Glycidyl Methacrylate: The reaction product of bisphenol A and glycidyl methacrylate that undergoes polymerization when exposed to ultraviolet light or mixed with a catalyst. It is used as a bond implant material and as the resin component of dental sealants and composite restorative materials.	14.17	169	50	diarylmethane
ethyldimethylaminopropyl carbodiimide Ethyldimethylaminopropyl Carbodiimide: Carbodiimide cross-linking reagent.	2.1	1	0
tetrachloroisophthalonitrile tetrachloroisophthalonitrile: structure. chlorothalonil : A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.	2.1	1	0	aromatic fungicide; dinitrile; tetrachlorobenzene	antifungal agrochemical
tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd	2.02	1	0	quaternary ammonium ion
methylene diphosphonate medronic acid : A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic acid groups.	2	1	0	1,1-bis(phosphonic acid)	bone density conservation agent; chelator
amiloride Amiloride: A pyrazine compound inhibiting SODIUM reabsorption through SODIUM CHANNELS in renal EPITHELIAL CELLS. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with DIURETICS to spare POTASSIUM loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705). amiloride : A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.	2	1	0	aromatic amine; guanidines; organochlorine compound; pyrazines	diuretic; sodium channel blocker
pimozide Pimozide: A diphenylbutylpiperidine that is effective as an antipsychotic agent and as an alternative to HALOPERIDOL for the suppression of vocal and motor tics in patients with Tourette syndrome. Although the precise mechanism of action is unknown, blockade of postsynaptic dopamine receptors has been postulated. (From AMA Drug Evaluations Annual, 1994, p403). pimozide : A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which one of the nitrogens is substituted by a piperidin-4-yl group, which in turn is substituted on the nitrogen by a 4,4-bis(p-fluorophenyl)butyl group.	1.96	1	0	benzimidazoles; heteroarylpiperidine; organofluorine compound	antidyskinesia agent; dopaminergic antagonist; first generation antipsychotic; H1-receptor antagonist; serotonergic antagonist
benperidol Benperidol: A butyrophenone with general properties similar to those of HALOPERIDOL. It has been used in the treatment of aberrant sexual behavior. (From Martindale, The Extra Pharmacopoeia, 30th ed, p567)	1.96	1	0	aromatic ketone
fluorescein Fluorescein: A phthalic indicator dye that appears yellow-green in normal tear film and bright green in a more alkaline medium such as the aqueous humor.. fluorescein (lactone form) : A xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as an indicator in silver nitrate titrations and in microscopy.	2.8	3	0	2-benzofurans; gamma-lactone; organic heteropentacyclic compound; oxaspiro compound; polyphenol; xanthene dye	fluorescent dye; radioopaque medium
3-(trimethoxysilyl)propyl methacrylate 3-(trimethoxysilyl)propyl methacrylate: structure in first source	6.78	7	2
uridine diphosphate glucuronic acid Uridine Diphosphate Glucuronic Acid: A nucleoside diphosphate sugar which serves as a source of glucuronic acid for polysaccharide biosynthesis. It may also be epimerized to UDP iduronic acid, which donates iduronic acid to polysaccharides. In animals, UDP glucuronic acid is used for formation of many glucosiduronides with various aglycones.. UDP-alpha-D-glucuronic acid : A UDP-sugar having alpha-D-glucuronic acid as the sugar component.	2	1	0	UDP-D-glucuronic acid	Escherichia coli metabolite; human metabolite; mouse metabolite
2-(dimethylamino)ethyl methacrylate 2-(dimethylamino)ethyl methacrylate: reducing agent; structure given in first source	3.45	1	1
stavudine Stavudine: A dideoxynucleoside analog that inhibits reverse transcriptase and has in vitro activity against HIV.. stavudine : A nucleoside analogue obtained by formal dehydration across positions 2 and 3 of thymidine. An inhibitor of HIV-1 reverse transcriptase	2.02	1	0	dihydrofuran; nucleoside analogue; organic molecular entity	antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
fluorescein-5-isothiocyanate Fluorescein-5-isothiocyanate: Fluorescent probe capable of being conjugated to tissue and proteins. It is used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.. fluorescein 5-isothiocyanate : The 5-isomer of fluorescein isothiocyanate. Acts as a fluorescent probe capable of being conjugated to tissue and proteins; used as a label in fluorescent antibody staining procedures as well as protein- and amino acid-binding techniques.	2.08	1	0	fluorescein isothiocyanate
diloxanide furoate diloxanide furoate: structure. diloxanide furoate : A carboxylic ester resulting from the formal condensation of the carboxy group of furan-2-carboxylic acid with the hydroxy group of 2,2-dichloro-N-(4-hydroxyphenyl)-N-methylacetamide. It is a drug used for the treatment of asymptomatic amebiasis.	2.08	1	0	carboxylic ester; furans; organochlorine compound; tertiary carboxamide	antiamoebic agent; prodrug
carbonates Carbonates: Salts or ions of the theoretical carbonic acid, containing the radical CO2(3-). Carbonates are readily decomposed by acids. The carbonates of the alkali metals are water-soluble; all others are insoluble. (From Grant & Hackh's Chemical Dictionary, 5th ed). carbonates : Organooxygen compounds that are salts or esters of carbonic acid, H2CO3.	3.63	9	0	carbon oxoanion
l 451167 L 451167: structure given in first source	1.97	1	0
calcium propionate [no description available]	2.47	2	0	dicarboxylic acid
benzetimide [no description available]	1.96	1	0	piperidines
isostearate 16-methylheptadecanoic acid : A methyl-branched fatty acid that is heptadecanoic acid (margaric acid) substituted by a methyl group at position 16.	2.02	1	0	branched-chain saturated fatty acid; long-chain fatty acid; methyl-branched fatty acid
acetylpyruvic acid acetylpyruvic acid: structure. acetylpyruvic acid : A dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4.	1.96	1	0	beta-diketone; dioxo monocarboxylic acid	bacterial metabolite
olaflur Olaflur: cariostatic agent	2.03	1	0
sodium metasilicate sodium metasilicate: RN given refers to silicic acid, di-Na salt. sodium silicate : An inorganic sodium salt having silicate as the counterion.	2.44	2	0	inorganic sodium salt
iridium Iridium: A metallic element with the atomic symbol Ir, atomic number 77, and atomic weight 192.22.	2.49	2	0	cobalt group element atom; platinum group metal atom
lanthanum [no description available]	2.05	1	0	f-block element atom; lanthanoid atom; scandium group element atom
manganese Manganese: A trace element with atomic symbol Mn, atomic number 25, and atomic weight 54.94. It is concentrated in cell mitochondria, mostly in the pituitary gland, liver, pancreas, kidney, and bone, influences the synthesis of mucopolysaccharides, stimulates hepatic synthesis of cholesterol and fatty acids, and is a cofactor in many enzymes, including arginase and alkaline phosphatase in the liver. (From AMA Drug Evaluations Annual 1992, p2035). manganese(4+) : A manganese cation that is monoatomic and has a formal charge of +4.	3.11	5	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
molybdenum Molybdenum: A metallic element with the atomic symbol Mo, atomic number 42, and atomic weight 95.95. It is an essential trace element, being a component of the enzymes xanthine oxidase, aldehyde oxidase, and nitrate reductase.	8.17	5	0	chromium group element atom	micronutrient
neodymium Neodymium: An element of the rare earth family of metals. It has the atomic symbol Nd, atomic number 60, and atomic weight 144.24, and is used in industrial applications.	2.9	4	0	f-block element atom; lanthanoid atom
niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb.	3.02	4	0	vanadium group element atom
palladium Palladium: A chemical element having an atomic weight of 106.4, atomic number of 46, and the symbol Pd. It is a white, ductile metal resembling platinum, and following it in abundance and importance of applications. It is used in dentistry in the form of gold, silver, and copper alloys.. palladium : Chemical element (nickel group element atom) with atomic number 46.	8.51	7	0	metal allergen; nickel group element atom; platinum group metal atom
platinum Platinum: A heavy, soft, whitish metal, resembling tin, with atomic number 78, atomic weight 195.084, symbol Pt. It is used in manufacturing equipment for laboratory and industrial use. It occurs as a black powder (platinum black) and as a spongy substance (spongy platinum) and may have been known in Pliny's time as alutiae.	2.98	4	0	elemental platinum; nickel group element atom; platinum group metal atom
rhenium Rhenium: A metal, atomic number 75, atomic weight 186.207, symbol Re.	7.03	1	0	manganese group element atom
rhodium Rhodium: A hard and rare metal of the platinum group, atomic number 45, atomic weight 102.905, symbol Rh.. rhodium atom : A cobalt group element atom of atomic number 45.	3.32	6	0	cobalt group element atom
ruthenium Ruthenium: A hard, brittle, grayish-white rare earth metal with an atomic symbol Ru, atomic number 44, and atomic weight 101.07. It is used as a catalyst and hardener for PLATINUM and PALLADIUM.	7.78	3	0	iron group element atom; platinum group metal atom
samarium Samarium: An element of the rare earth family of metals. It has the atomic symbol Sm, atomic number 62, and atomic weight 150.36. The oxide is used in the control rods of some nuclear reactors.	7.04	1	0	f-block element atom; lanthanoid atom
silver Silver: An element with the atomic symbol Ag, atomic number 47, and atomic weight 107.87. It is a soft metal that is used medically in surgical instruments, dental prostheses, and alloys. Long-continued use of silver salts can lead to a form of poisoning known as ARGYRIA.	7.78	3	0	copper group element atom; elemental silver	Escherichia coli metabolite
tantalum Tantalum: A rare metallic element, atomic number 73, atomic weight 180.948, symbol Ta. It is a noncorrosive and malleable metal that has been used for plates or disks to replace cranial defects, for wire sutures, and for making prosthetic devices.	2.98	4	0	vanadium group element atom
terbium Terbium: An element of the rare earth family of metals. It has the atomic symbol Tb, atomic number 65, and atomic weight 158.92.	2.68	3	0	f-block element atom; lanthanoid atom
thorium Thorium: A radioactive element of the actinide series of metals. It has an atomic symbol Th, atomic number 90, and atomic weight 232.04. It is used as fuel in nuclear reactors to produce fissionable uranium isotopes. Because of its radioopacity, various thorium compounds are used to facilitate visualization in roentgenography.	2.95	4	0	actinoid atom; f-block element atom
thulium Thulium: An element of the rare earth family of metals. It has the atomic symbol Tm, atomic number 69, and atomic weight 168.93.	1.94	1	0	f-block element atom; lanthanoid atom
titanium Titanium: A dark-gray, metallic element of widespread distribution but occurring in small amounts with atomic number, 22, atomic weight, 47.867 and symbol, Ti; specific gravity, 4.5; used for fixation of fractures.	6.94	37	2	titanium group element atom
tungsten Tungsten: A metallic element with the atomic symbol W, atomic number 74, and atomic weight 183.85. It is used in many manufacturing applications, including increasing the hardness, toughness, and tensile strength of steel; manufacture of filaments for incandescent light bulbs; and in contact points for automotive and electrical apparatus.	2.94	4	0	chromium group element atom	micronutrient
actinium Actinium: A trivalent radioactive element and the prototypical member of the actinide family. It has the atomic symbol Ac, and atomic number 89. Its principal isotope is 227 and it decays primarily by beta-emission.	2	1	0	actinoid atom; f-block element atom; scandium group element atom
argon Argon: A noble gas with the atomic symbol Ar, atomic number 18, and atomic weight 39.948. It is used in fluorescent tubes and wherever an inert atmosphere is desired and nitrogen cannot be used.	1.98	1	0	monoatomic argon; noble gas atom; p-block element atom	food packaging gas; neuroprotective agent
cadmium Cadmium: An element with atomic symbol Cd, atomic number 48, and atomic weight 112.41. It is a metal and ingestion will lead to CADMIUM POISONING.. elemental cadmium : An element in the zinc group of the periodic table with atomic number 48, atomic mass 112, M.P. 321degreeC, and B.P. 765degreeC). An odourless, tasteless, and highly poisonous soft, ductile, lustrous metal with electropositive properties. It has eight stable isotopes: (106)Cd, (108)Cd,(110)Cd, (111)Cd, (112)Cd, (113)Cd, (114)Cd and (116)Cd, with (112)Cd and (114)Cd being the most common.	3.63	8	0	cadmium molecular entity; zinc group element atom
cerium Cerium: An element of the rare earth family of metals. It has the atomic symbol Ce, atomic number 58, and atomic weight 140.12. Cerium is a malleable metal used in industrial applications.	2.01	1	0	f-block element atom; lanthanoid atom
chromium Chromium: A trace element that plays a role in glucose metabolism. It has the atomic symbol Cr, atomic number 24, and atomic weight 52. According to the Fourth Annual Report on Carcinogens (NTP85-002,1985), chromium and some of its compounds have been listed as known carcinogens.. chromium ion : An chromium atom having a net electric charge.. chromium atom : A chromium group element atom that has atomic number 24.	8.89	11	0	chromium group element atom; metal allergen	micronutrient
erbium Erbium: Erbium. An element of the rare earth family of metals. It has the atomic symbol Er, atomic number 68, and atomic weight 167.26.	10.91	13	2	f-block element atom; lanthanoid atom
europium Europium: An element of the rare earth family of metals. It has the atomic symbol Eu, atomic number 63, and atomic weight 152. Europium is used in the form of its salts as coatings for cathode ray tubes and in the form of its organic derivatives as shift reagents in NMR spectroscopy.	1.94	1	0	f-block element atom; lanthanoid atom
gold Gold: A yellow metallic element with the atomic symbol Au, atomic number 79, and atomic weight 197. It is used in jewelry, goldplating of other metals, as currency, and in dental restoration. Many of its clinical applications, such as ANTIRHEUMATIC AGENTS, are in the form of its salts.	8.19	5	0	copper group element atom; elemental gold
uranium Uranium: A radioactive element of the actinide series of metals. It has an atomic symbol U, atomic number 92, and atomic weight 238.03. U-235 is used as the fissionable fuel in nuclear weapons and as fuel in nuclear power reactors.	3.63	9	0	actinoid atom; f-block element atom; monoatomic uranium
xenon Xenon: A noble gas with the atomic symbol Xe, atomic number 54, and atomic weight 131.30. It is found in the earth's atmosphere and has been used as an anesthetic.	2.17	1	0	monoatomic xenon; noble gas atom; p-block element atom
yttrium Yttrium: An element of the rare earth family of metals. It has the atomic symbol Y, atomic number 39, and atomic weight 88.91. In conjunction with other rare earths, yttrium is used as a phosphor in television receivers and is a component of the yttrium-aluminum garnet (YAG) lasers.	5.8	8	3	d-block element atom; rare earth metal atom; scandium group element atom
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	9.77	37	7	titanium group element atom
aluminum chloride Aluminum Chloride: A compound with the chemical formula AlCl3; the anhydrous salt is used as a catalyst in organic chemical synthesis, and hydrated salts are used topically as antiperspirants, and for the management of HYPERHYDROSIS.	4.11	3	1	aluminium coordination entity	Lewis acid
cupric chloride cupric chloride: RN given refers to unlabeled parent cpd. copper(II) chloride : An inorganic chloride of copper in which the metal is in the +2 oxidation state.	3.27	6	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
mercuric chloride Mercuric Chloride: Mercury chloride (HgCl2). A highly toxic compound that volatizes slightly at ordinary temperature and appreciably at 100 degrees C. It is corrosive to mucous membranes and used as a topical antiseptic and disinfectant.. mercury dichloride : A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed.	2.46	2	0	mercury coordination entity	sensitiser
selenium disulfide [no description available]	2.01	1	0	sulfide salt
galactosamine 2-amino-2-deoxy-D-galactopyranose : The pyranose form of D-galactosamine.. D-galactosamine : The D-stereoisomer of galactosamine.	6.94	1	0	D-galactosamine; primary amino compound	toxin
phosphoric acid, trisodium salt [no description available]	3.37	7	0	sodium phosphate
perchloric acid [no description available]	6.94	1	0	chlorine oxoacid
hypochlorous acid Hypochlorous Acid: An oxyacid of chlorine (HClO) containing monovalent chlorine that acts as an oxidizing or reducing agent.. hypochlorous acid : A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water.	2.07	1	0	chlorine oxoacid; reactive oxygen species	EC 2.5.1.18 (glutathione transferase) inhibitor; EC 3.1.1.7 (acetylcholinesterase) inhibitor; human metabolite
camptothecin NSC 100880: carboxylate (opened lactone) form of camptothecin; RN refers to (S)-isomer; structure given in first source	3.13	1	0	delta-lactone; pyranoindolizinoquinoline; quinoline alkaloid; tertiary alcohol	antineoplastic agent; EC 5.99.1.2 (DNA topoisomerase) inhibitor; genotoxin; plant metabolite
ferric chloride ferric chloride: RN given refers to cpd with MF of Fe-Cl3; used to induce experimental arterial thrombosis to evaluate antithrombotic agents	6.03	15	2	iron coordination entity	astringent; Lewis acid
ferrous sulfate ferrous sulfate: Ferro-Gradumet is ferrous sulfate in controlled release form; RN given refers to Fe(+2)[1:1] salt. iron(2+) sulfate (anhydrous) : A compound of iron and sulfate in which the ratio of iron(2+) to sulfate ions is 1:1. Various hydrates occur naturally - most commonly the heptahydrate, which loses water to form the tetrahydrate at 57degreeC and the monohydrate at 65degreeC.	4.33	4	1	iron molecular entity; metal sulfate	reducing agent
sodium pyrophosphate sodium pyrophosphate: RN refers to diphosphoric acid, tetra-Na salt; structure. sodium diphosphate : An inorganic sodium salt comprised of a diphosphate(4-) anion and four sodium(1+) cations. More commonly known as tetrasodium pyrophosphate, it finds much use in the food industry as an emulsifier and in dental hygiene as a calcium-chelating salt.	1.97	1	0	inorganic sodium salt	chelator; food emulsifier; food thickening agent
chromic acid [no description available]	1.98	1	0	chromium oxoacid	oxidising agent
sodium sulfate [no description available]	4.36	6	0	inorganic sodium salt
sodium sulfite [no description available]	2.55	2	0	inorganic sodium salt; sulfite salt	food preservative; reducing agent
magnesium phosphate (2:3) [no description available]	2.41	2	0	inorganic magnesium salt
calcium phosphate, dibasic, anhydrous calcium phosphate, dibasic, anhydrous: molecular formula CaHPO(4), DCPA=dicalcium phosphate anhydrous; don't confuse with dichloropropionanilide which also is called DCPA; MW=136.06; has greater surface area and lower pH than DCPD (dicalcium phosphate dihydrate); occurs in nature as monetite; an intermediate in preparing hydroxyapatite	2.91	4	0	calcium phosphate
bromic acid [no description available]	2.11	1	0	bromine oxoacid
calcium phosphate, monobasic, anhydrous calcium phosphate, monobasic: MW 234.05	2.67	3	0	calcium phosphate	fertilizer
tricalcium phosphate tricalcium phosphate: a form of tricalcium phosphate used as bioceramic bone replacement material; see also records for alpha-tricalcium phosphate, beta-tricalcium phosphate, calcium phosphate; apatitic tricalcium phosphate Ca9(HPO4)(PO4)5(OH) is the calcium orthophosphate leading to beta tricalcium phosphate Ca3(PO4)2 (b-TCP). calcium phosphate : A calcium salt composed of calcium and phosphate/diphosphate ions; present in milk and used for the mineralisation of calcified tissues.	8.34	32	4	calcium phosphate
chromates Chromates: Salts of chromic acid containing the CrO(2-)4 radical.. chromate(2-) : A chromium oxoanion resulting from the removal of two protons from chromic acid.	1.98	1	0	chromium oxoanion; divalent inorganic anion	oxidising agent
copper sulfate Copper Sulfate: A sulfate salt of copper. It is a potent emetic and is used as an antidote for poisoning by phosphorus. It also can be used to prevent the growth of algae.. copper(II) sulfate : A metal sulfate compound having copper(2+) as the metal ion.	2.93	4	0	metal sulfate	emetic; fertilizer; sensitiser
metoprine metoprine: histamine methyltransferase antagonist	1.96	1	0
silver nitrate Silver Nitrate: A silver salt with powerful germicidal activity. It has been used topically to prevent OPHTHALMIA NEONATORUM.	3.06	4	0	inorganic nitrate salt; silver salt	astringent
sodium thiosulfate sodium thiosulfate: do not confuse synonym sodium hyposulfite with sodium hyposulfite, synonym for di-Na salt of dithionous acid. sodium thiosulfate : An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio.	2.07	1	0	inorganic sodium salt	antidote to cyanide poisoning; antifungal drug; nephroprotective agent
calcium sulfate Calcium Sulfate: A calcium salt that is used for a variety of purposes including: building materials, as a desiccant, in dentistry as an impression material, cast, or die, and in medicine for immobilizing casts and as a tablet excipient. It exists in various forms and states of hydration. Plaster of Paris is a mixture of powdered and heat-treated gypsum.	6.48	23	2	calcium salt; inorganic calcium salt
zinc phosphate zinc phosphate: RN given refers to unspecified Zn salt; see also record for ZINC PHOSPHATE CEMENT RN 7779-90-0; hopeite was non-print entry term to ZINC PHOSPHATE CEMENT 1982-91	2.1	1	0
deuterium Deuterium: The stable isotope of hydrogen. It has one neutron and one proton in the nucleus.	2.05	1	0	dihydrogen
fluorine Fluorine: A nonmetallic, diatomic gas that is a trace element and member of the halogen family. It is used in dentistry as fluoride (FLUORIDES) to prevent dental caries.	2.75	3	0	diatomic fluorine; gas molecular entity	NMR chemical shift reference compound
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.68	3	0	diatomic chlorine; gas molecular entity	bleaching agent
nitrous acid Nitrous Acid: Nitrous acid (HNO2). A weak acid that exists only in solution. It can form water-soluble nitrites and stable esters. (From Merck Index, 11th ed)	2.03	1	0	nitrogen oxoacid
deuterium oxide Deuterium Oxide: The isotopic compound of hydrogen of mass 2 (deuterium) with oxygen. (From Grant & Hackh's Chemical Dictionary, 5th ed) It is used to study mechanisms and rates of chemical or nuclear reactions, as well as biological processes.	2.42	2	0	deuterated compound; water	NMR solvent
galactose aldohexose : A hexose with a (potential) aldehyde group at one end.	2.47	2	0
ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs.	3.66	2	0	elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen	antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer
ferric sulfate ferric sulfate: RN given refers to Fe(+3)[3:2] salt). iron(3+) sulfate : A compound of iron and sulfate in which the ratio of iron(3+) to sulfate ions is 3:2.	3.85	2	1	iron molecular entity; metal sulfate	astringent; catalyst; mordant
aluminum sulfate aluminium sulfate (anhydrous) : An aluminium sulfate that contains no water of crystallisation.	2.94	4	0	aluminium sulfate
radon Radon: A naturally radioactive element with atomic symbol Rn, and atomic number 86. It is a member of the noble gas family found in soil, and is released during the decay of RADIUM.. radon(0) : A monoatomic radon that has an oxidation state of zero.	2.47	2	0	monoatomic radon; noble gas atom; p-block element atom
chlorine dioxide chlorine dioxide: equal or superior to chlorine when used as wastewater disinfectant	2.13	1	0	chlorine dioxide
calcium sulfate dihydrate phosphogypsum: used as fertilizer and in construction materials such as bricks, plaster etc; contains 11 components; found as industrial waste	4.01	13	0	calcium salt; hydrate
cadmium chloride Cadmium Chloride: A cadmium halide in the form of colorless crystals, soluble in water, methanol, and ethanol. It is used in photography, in dyeing, and calico printing, and as a solution to precipitate sulfides. (McGraw-Hill Dictionary of Scientific and Technical Terms, 5th ed). cadmium dichloride : A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding.	2.03	1	0	cadmium coordination entity
calcium nitrate calcium nitrate: an amylopsin activator. calcium nitrate : Inorganic nitrate salt of calcium.	2.46	2	0	calcium salt; inorganic nitrate salt	fertilizer
ethyl 4-dimethylaminobenzoate ethyl 4-dimethylaminobenzoate: slow-acting amine polymerization accelerator. parbenate : A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4.	2.08	1	0	benzoate ester; ethyl ester; tertiary amino compound
camphoroquinone camphoroquinone: a natural monoterpene, non-aromatic quinone; structure given in first source. bornane-2,3-dione : A bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3.	1.99	1	0	bornane monoterpenoid; carbobicyclic compound
clodronic acid Clodronic Acid: A diphosphonate which affects calcium metabolism. It inhibits bone resorption and soft tissue calcification.. clodronic acid : An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases.	2.05	1	0	1,1-bis(phosphonic acid); one-carbon compound; organochlorine compound	antineoplastic agent; bone density conservation agent
coformycin [no description available]	1.96	1	0	coformycins	EC 3.5.4.4 (adenosine deaminase) inhibitor
ammonium chloride Ammonium Chloride: An acidifying agent that has expectorant and diuretic effects. Also used in etching and batteries and as a flux in electroplating.. ammonium chloride : An inorganic chloride having ammonium as the counterion.	1.97	1	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
tricalcium silicate tricalcium silicate: might be used as injectable bioactive cement	2.8	3	0
titanium dioxide titanium dioxide: used medically as protectant against externally caused irritation & sunlight; high concentrations of dust may cause irritation to respiratory tract; RN given refers to titanium oxide (TiO2); structure. titanium dioxide : A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications.	8.99	13	0	titanium oxides	food colouring
diacerein diacerein: chelates with bivalent metals; a quinone which possesses redox properties; metabolized to active rhein; proposed mechanisms include inhibiting IL1 and metalloproteinases; called a slow acting symptomatic drug in osteoarthritis; no effect of cyclooxygenase;	2.02	1	0	anthraquinone
tiletamine hydrochloride Cyclohexanones: Cyclohexane ring substituted by one or more ketones in any position.. cyclohexanones : Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof.	2.42	2	0
pizotyline Pizotyline: Serotonin antagonist used against MIGRAINE DISORDERS and vascular headaches.. pizotifen : A benzocycloheptathiophene that is 9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophene 4-ylidene)-1-methylpiperidine which is joined from the 4 position to the 4 position of an N-methylpiperidine moiety by a double bond. It is a sedating antihistamine, with strong serotonin antagonist and weak antimuscarinic activity. It is generally used as the malate salt for the treatment of migraine and the prevention of headache attacks during cluster periods.	1.96	1	0	benzocycloheptathiophene	histamine antagonist; muscarinic antagonist; serotonergic antagonist
vinyl carbamate vinyl carbamate: promutagen & more carcinogenic analog of ethyl carbamate (urethane); structure	2.05	1	0	carbamate ester
ethephon (2-chloroethyl)phosphonic acid: structure in first source. (2-chloroethyl)phosphonic acid : A phosphonic acid compound having a 2-chloroethyl substituent attached to the P-atom.	2.21	1	0	phosphonic acids	plant growth regulator
hexafluorosilicate hexafluorosilicate: structure	2.48	2	0	silicon coordination entity
fluorides [no description available]	10.89	44	6	halide anion; monoatomic fluorine
metergoline Metergoline: A dopamine agonist and serotonin antagonist. It has been used similarly to BROMOCRIPTINE as a dopamine agonist and also for MIGRAINE DISORDERS therapy.. metergoline : An ergoline alkaloid that is the N-benzyloxycarbonyl derivative of lysergamine. A 5-HT2 antagonist. Also 5-HT1 antagonist and 5-HT1D ligand. Has moderate affinity for 5-HT6 and high affinity for 5-HT7.	1.96	1	0	carbamate ester; ergoline alkaloid	dopamine agonist; geroprotector; serotonergic antagonist
chromium chromium hexavalent ion: a human respiratory carcinogen	3.36	6	0	chromium cation; monoatomic hexacation
brilliant orange 3r brilliant orange 3R: RN given refers to di-Na salt; RN for parent cpd not avail 11/92; structure given in first source	2.25	1	0
iodine [no description available]	2.37	2	0	halide anion; monoatomic iodine	human metabolite
lofexidine lofexidine: reduces narcotic withdrawal symptoms; RN given refers to parent cpd without isomeric designation; structure in Negwer, 5th ed, #6247	1.96	1	0	aromatic ether; carboxamidine; dichlorobenzene; imidazoles	alpha-adrenergic agonist; antihypertensive agent
phosphotyrosine Phosphotyrosine: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.. O(4)-phospho-L-tyrosine : A non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group.	2.47	2	0	L-tyrosine derivative; non-proteinogenic L-alpha-amino acid; O(4)-phosphotyrosine	Escherichia coli metabolite; immunogen
5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate 5-(2-cyclohexylidene-ethyl)-5-ethylbarbiturate: RN given refers to parent cpd	1.96	1	0
tri-n-butylborane [no description available]	7.92	4	0
phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.	5.52	16	1	benzenes; phenyl acetates
carbamide peroxide Carbamide Peroxide: A urea peroxide compound that is commonly used in tooth whitening agents; topical anti-infective agents, and earwax remover.. urea hydrogen peroxide : A mixture obtained by combining equimolar amounts of hydrogen peroxide and urea.	11.55	13	4	mixture	disinfectant; oxidising agent; reagent
tributyl phosphate tributyl phosphate: a detergent. tributyl phosphate : A trialkyl phosphate that is the tributyl ester of phosphoric acid.	2.01	1	0	trialkyl phosphate
aluminum oxide hydroxide aluminum oxide hydroxide: RN given refers to Al2O3.xH2O	2.11	1	0	aluminium hydroxides; aluminium oxides
alkenes [no description available]	10.01	11	0
glutamic acid Glutamic Acid: A non-essential amino acid naturally occurring in the L-form. Glutamic acid is the most common excitatory neurotransmitter in the CENTRAL NERVOUS SYSTEM.. glutamic acid : An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2.	2.69	3	0	glutamic acid; glutamine family amino acid; L-alpha-amino acid; proteinogenic amino acid	Escherichia coli metabolite; ferroptosis inducer; micronutrient; mouse metabolite; neurotransmitter; nutraceutical
amoxicillin Amoxicillin: A broad-spectrum semisynthetic antibiotic similar to AMPICILLIN except that its resistance to gastric acid permits higher serum levels with oral administration.. amoxicillin : A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.	2.05	1	0	penicillin allergen; penicillin	antibacterial drug
timolol (S)-timolol (anhydrous) : The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.	1.96	1	0	timolol	anti-arrhythmia drug; antiglaucoma drug; antihypertensive agent; beta-adrenergic antagonist
indoramin Indoramin: An alpha-1 adrenergic antagonist that is commonly used as an antihypertensive agent.	1.96	1	0	tryptamines
penfluridol Penfluridol: One of the long-acting ANTIPSYCHOTIC AGENTS used for maintenance or long-term therapy of SCHIZOPHRENIA and other PSYCHOTIC DISORDERS.	1.96	1	0	diarylmethane
2-bromoethanesulfonic acid 2-bromoethanesulfonic acid: RN given refers to parent cpd; a methanogenic inhibitor	2.04	1	0
tramadol Tramadol: A narcotic analgesic proposed for severe pain. It may be habituating.. tramadol : A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia.. (R,R)-tramadol : A 2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol in which both stereocentres have R-configuration; the (R,R)-enantiomer of the racemic opioid analgesic tramadol, it exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer.	2.03	1	0	2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol	adrenergic uptake inhibitor; antitussive; capsaicin receptor antagonist; delta-opioid receptor agonist; kappa-opioid receptor agonist; metabolite; mu-opioid receptor agonist; muscarinic antagonist; nicotinic antagonist; NMDA receptor antagonist; opioid analgesic; serotonergic antagonist; serotonin uptake inhibitor
zidovudine Zidovudine: A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by an azido group. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication, acting as a chain-terminator of viral DNA during reverse transcription. It improves immunologic function, partially reverses the HIV-induced neurological dysfunction, and improves certain other clinical abnormalities associated with AIDS. Its principal toxic effect is dose-dependent suppression of bone marrow, resulting in anemia and leukopenia.. zidovudine : A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase.	2.02	1	0	azide; pyrimidine 2',3'-dideoxyribonucleoside	antimetabolite; antiviral drug; HIV-1 reverse transcriptase inhibitor
acetylgalactosamine Acetylgalactosamine: The N-acetyl derivative of galactosamine.	6.94	1	0	N-acetyl-D-hexosamine; N-acetylgalactosamine	Escherichia coli metabolite; human metabolite; mouse metabolite
paclitaxel Taxus: Genus of coniferous yew trees or shrubs, several species of which have medicinal uses. Notable is the Pacific yew, Taxus brevifolia, which is used to make the anti-neoplastic drug taxol (PACLITAXEL).	2.13	1	0	taxane diterpenoid; tetracyclic diterpenoid	antineoplastic agent; human metabolite; metabolite; microtubule-stabilising agent
tiamenidine [no description available]	1.96	1	0	organochlorine compound
deoxynivalenol deoxynivalenol : A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination.	2.11	1	0	cyclic ketone; enone; primary alcohol; secondary alpha-hydroxy ketone; trichothecene; triol	mycotoxin
6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid [no description available]	2.01	1	0	chromanol; monocarboxylic acid; phenols	antioxidant; ferroptosis inhibitor; neuroprotective agent; radical scavenger; Wnt signalling inhibitor
sufentanil Sufentanil: An opioid analgesic that is used as an adjunct in anesthesia, in balanced anesthesia, and as a primary anesthetic agent.. sufentanil : An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.	1.96	1	0	anilide; ether; piperidines; thiophenes	anaesthesia adjuvant; intravenous anaesthetic; mu-opioid receptor agonist; opioid analgesic
cefoperazone Cefoperazone: Semisynthetic broad-spectrum cephalosporin with a tetrazolyl moiety that is resistant to beta-lactamase. It may be used to treat Pseudomonas infections.. cefoperazone : A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance.	2.02	1	0	cephalosporin	antibacterial drug
4-methacryloxyethyltrimellitic acid anhydride 4-methacryloxyethyltrimellitic acid anhydride: monomer used in 4-META resin; which is used as dental resin; structure given in first source; Cover-Up II is a 4-META bases bonding agent	3.89	12	0
itraconazole Itraconazole: A triazole antifungal agent that inhibits cytochrome P-450-dependent enzymes required for ERGOSTEROL synthesis.. itraconazole : An N-arylpiperazine that is cis-ketoconazole in which the imidazol-1-yl group is replaced by a 1,2,4-triazol-1-yl group and in which the actyl group attached to the piperazine moiety is replaced by a p-[(+-)1-sec-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl group. A potent P-glycoprotein and CYP3A4 inhibitor, it is used as an antifungal drug for the treatment of various fungal infections, including aspergillosis, blastomycosis, candidiasis, chromoblastomycosis, coccidioidomycosis, cryptococcosis, histoplasmosis, and sporotrichosis.	2.05	1	0	aromatic ether; conazole antifungal drug; cyclic ketal; dichlorobenzene; dioxolane; N-arylpiperazine; triazole antifungal drug; triazoles	EC 3.6.3.44 (xenobiotic-transporting ATPase) inhibitor; Hedgehog signaling pathway inhibitor; P450 inhibitor
ractopamine ractopamine: veterinary growth stimulant. ractopamine : A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.. 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol : A secondary amino compound that is 4-(2-amino-1-hydroxyethyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 4-(p-hydroxyphenyl)butan-2-yl group.	2.05	1	0	benzyl alcohols; polyphenol; secondary alcohol; secondary amino compound
aripiprazole Aripiprazole: A piperazine and quinolone derivative that is used primarily as an antipsychotic agent. It is a partial agonist of SEROTONIN RECEPTOR, 5-HT1A and DOPAMINE D2 RECEPTORS, where it also functions as a post-synaptic antagonist, and an antagonist of SEROTONIN RECEPTOR, 5-HT2A. It is used for the treatment of SCHIZOPHRENIA and BIPOLAR DISORDER, and as an adjunct therapy for the treatment of depression.. aripiprazole : An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders.	2.15	1	0	aromatic ether; delta-lactam; dichlorobenzene; N-alkylpiperazine; N-arylpiperazine; quinolone	drug metabolite; H1-receptor antagonist; second generation antipsychotic; serotonergic agonist
atorvastatin [no description available]	2.47	2	0	aromatic amide; dihydroxy monocarboxylic acid; monofluorobenzenes; pyrroles; statin (synthetic)	environmental contaminant; xenobiotic
lamivudine [no description available]	2.02	1	0	monothioacetal; nucleoside analogue; oxacycle; primary alcohol	allergen; anti-HBV agent; antiviral drug; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor; HIV-1 reverse transcriptase inhibitor; prodrug
irinotecan [no description available]	3.13	1	0	carbamate ester; delta-lactone; N-acylpiperidine; pyranoindolizinoquinoline; ring assembly; tertiary alcohol; tertiary amino compound	antineoplastic agent; apoptosis inducer; EC 5.99.1.2 (DNA topoisomerase) inhibitor; prodrug
zolmitriptan zolmitriptan: an antimigraine compound; a serotonin (5HT)-1D receptor agonist. zolmitriptan : A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine.	2.05	1	0	oxazolidinone; tryptamines	anti-inflammatory drug; serotonergic agonist; vasoconstrictor agent
adenosine quinquefolan B: isolated from roots of Panax quinquefolium L.; RN not in Chemline 10/87; RN from Toxlit	3.65	10	0	adenosines; purines D-ribonucleoside	analgesic; anti-arrhythmia drug; fundamental metabolite; human metabolite; vasodilator agent
d-lactic acid (R)-lactic acid : An optically active form of lactic acid having (R)-configuration.	2	1	0	2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
vanadates Vanadates: Oxyvanadium ions in various states of oxidation. They act primarily as ion transport inhibitors due to their inhibition of Na(+)-, K(+)-, and Ca(+)-ATPase transport systems. They also have insulin-like action, positive inotropic action on cardiac ventricular muscle, and other metabolic effects.. vanadate(3-) : A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.	1.98	1	0	trivalent inorganic anion; vanadium oxoanion	EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor
dolomite calcium magnesium carbonate: mineral recommended by lay periodicals as a desirable source of calcium & magnesium, but found to be also a source of potentially toxic heavy metals	2.49	2	0
ruthenium chloride (rucl3) ruthenium chloride: RN given refers to unlabeled cpd	2.04	1	0
carfentanil carfentanil : A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate with propanoic acid.	1.96	1	0	methyl ester; piperidines; tertiary amino compound; tertiary carboxamide	mu-opioid receptor agonist; opioid analgesic; tranquilizing drug
tantalum oxide tantalum oxide: RN given refers to cpd with unknown MF; used for surgical implants	2.46	2	0
acridine orange Acridine Orange: A cationic cytochemical stain specific for cell nuclei, especially DNA. It is used as a supravital stain and in fluorescence cytochemistry. It may cause mutations in microorganisms.. acridine orange : Fluorescent dye useful for cell cycle determination. It is cell-permeable, and interacts with DNA and RNA by intercalation or electrostatic attractions respectively.. acridine orange free base : A member of the class of aminoacridines that is acridine carrying two dimethylamino substituents at positions 3 and 6. The hydrochloride salt is the fluorescent dye 'acridine orange', used for cell cycle determination.	2.04	1	0	aminoacridines; aromatic amine; tertiary amino compound	fluorochrome; histological dye
perfluoropropionic acid perfluoropropionic acid: ion pairing reagent; RN given refers to parent cpd	2.03	1	0
ammonium peroxydisulfate ammonium persulfate : An inorganic ammonium salt in which two of the terminal hydroxy groups of peroxydisulfuric acid are deprotonated and associated with ammonium ions as counter-cations.	1.94	1	0
potassium phosphate potassium phosphate: used in dental materials and to treat hypophosphatemia; RN given refers to cpd with unspecified MF. tripotassium phosphate : An inorganic potassium salt that is the tripotassium salt of phosphoric acid.	2.72	3	0	inorganic phosphate salt; inorganic potassium salt
chromic phosphate chromic phosphate: P32 labeled is separate SCR since that is form of major interest	2.04	1	0
efavirenz efavirenz: HIV-1 reverse transcriptase inhibitor. efavirenz : 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.	2.02	1	0	acetylenic compound; benzoxazine; cyclopropanes; organochlorine compound; organofluorine compound	antiviral drug; HIV-1 reverse transcriptase inhibitor
glucose, (beta-d)-isomer beta-D-glucose : D-Glucopyranose with beta configuration at the anomeric centre.. (1->4)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->4) linkages.. (1->3)-beta-D-glucan : A beta-D-glucan in which the glucose units are connected by (1->3) linkages.	2.72	3	0	D-glucopyranose	epitope; mouse metabolite
thiazolyl blue thiazolyl blue: RN & II refers to bromide. 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide : The bromide salt of 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium.	2.48	2	0	organic bromide salt	colorimetric reagent; dye
baicalin [no description available]	2.6	1	0	dihydroxyflavone; glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative	antiatherosclerotic agent; antibacterial agent; anticoronaviral agent; antineoplastic agent; antioxidant; cardioprotective agent; EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; ferroptosis inhibitor; neuroprotective agent; non-steroidal anti-inflammatory drug; plant metabolite; prodrug
diphenylcyclopropenone diphenylcyclopropenone: strong contact sensitizer; a photosensitizing agent; RN given refers to parent cpd; structure given in first source. diphenylcyclopropenone : A cyclopropenone compound having phenyl substituents at the 2- and 3-positions.	2.17	1	0	cyclopropenone	drug allergen; hapten; photosensitizing agent
epigallocatechin gallate epigallocatechin gallate: a steroid 5alpha-reductase inhibitor and antimutagen in green tea (Camellia sinensis). (-)-epigallocatechin 3-gallate : A gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin.	2.75	3	0	flavans; gallate ester; polyphenol	antineoplastic agent; antioxidant; apoptosis inducer; geroprotector; Hsp90 inhibitor; neuroprotective agent; plant metabolite
2-phenyloxazolone 2-phenyloxazolone: RN given refers to 2-phenyl-5-oxazolone. 2-phenyloxazol-5(4H)-one : A 1,3-oxazole having a phenyl substituent at the 2-position and an oxo group at the 5-position. Note that phenyloxazolone is commonly used as a synonym for 4-(ethoxymethylene)-2-phenyloxazol-5-one (PhOx).	2.04	1	0	1,3-oxazoles
gallocatechol gallocatechol: structure give in first source; RN given for (trans-(+-))-omer; inhibits DNA-dependent DNA & RNA polymerases. (+)-gallocatechin : A gallocatechin that has (2R,3S)-configuration. It is found in green tea and bananas.. gallocatechin : A catechin that is a flavan substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7 (the trans isomer). It is isolated from Acacia mearnsii.	2.03	1	0	gallocatechin	antioxidant; metabolite; radical scavenger
phosphoramidic acid phosphoramidic acid: urease inhibitor; RN given refers to parent cpd; structure; do not confuse with phosphoramidites, which are organophosphorus compounds	1.98	1	0	phosphoric acid derivative
metaperiodate Periodic Acid: A strong oxidizing agent.	2.04	1	0	iodine oxoacid
fluorophosphate fluorophosphate: inhibits Phosphorylas phosphatase irreversibly; RN given refers to parent cpd	3.4	2	0	fluorine molecular entity; phosphoric acid derivative
glutathione disulfide Glutathione Disulfide: A GLUTATHIONE dimer formed by a disulfide bond between the cysteine sulfhydryl side chains during the course of being oxidized.	2.02	1	0	glutathione derivative; organic disulfide	Escherichia coli metabolite; mouse metabolite
fenclofenac fenclofenac: RN given refers to parent cpd	1.96	1	0	aromatic ether
glyceryl methacrylate glyceryl methacrylate: a dentin primer	2.41	2	0
cephalosporin c cephalosporin C: RN given refers to parent cpd; structure in Merck, 9th ed, #1937. cephalosporin C : A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7.	2	1	0	cephalosporin	fungal metabolite
trioctyl phosphine oxide [no description available]	2.06	1	0
flutonidine flutonidine: RN given refers to parent cpd	1.96	1	0
tretoquinol Tretoquinol: An adrenergic beta-agonist used as a bronchodilator agent in asthma therapy.	1.96	1	0	isoquinolines
fropenem [no description available]	2	1	0	faropenem
moguisteine [no description available]	1.98	1	0
n-phenylglycine N-phenylglycine: RN given refers to parent cpd. N-phenylglycine : A glycine carrying an N-phenyl substituent.	1.99	1	0	non-proteinogenic alpha-amino acid	allergen
boron nitride [no description available]	2.08	1	0	nitride
1,7-phenanthroline [no description available]	2.73	3	0	phenanthroline
triazoles Triazoles: Heterocyclic compounds containing a five-membered ring with two carbon atoms and three nitrogen atoms with the molecular formula C2H3N3.. triazoles : An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms.	2.03	1	0	1,2,3-triazole
tetrabutylammonium tetrafluoroborate tetrabutylammonium tetrafluoroborate: forms a fluoride-releasing resin when used with bis-GMA	1.98	1	0
1,2,3,4-tetrahydroquinoline 1,2,3,4-tetrahydroquinoline: structure in first source. 1,2,3,4-tetrahydroquinoline : A member of the class of quinolines that is the 1,2,3,4-tetrahydro derivative of quinoline.	3.18	5	0	quinolines
phenylpropiolic acid phenylpropiolic acid: structure. phenylpropiolic acid : An acetylenic compound that is propynoic acid in which the acetylenic hydrogen is replaced by a phenyl group.	7.11	1	0	acetylenic compound; alpha,beta-unsaturated monocarboxylic acid; benzenes
zidovudine triphosphate [no description available]	2.02	1	0
neamine neamine: fragment of NEOMYCIN B; structure in first source. neamine : 2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group.	2.15	1	0	2,6-dideoxy-alpha-D-glucoside; aminoglycoside	antibacterial agent
xylenol orange xylenol orange: carboxylate anion which exhibits characteristic visible spectrum when attached to a metal	2.08	1	0
oxazolidin-2-one Oxazolidinones: Derivatives of oxazolidin-2-one. They represent an important class of synthetic antibiotic agents.. oxazolidin-2-one : An oxazolidinone that is 1,3-oxazolidine with an oxo substituent at position 2.. oxazolidinone : An oxazolidine containing one or more oxo groups.	2.05	1	0	carbamate ester; oxazolidinone	metabolite
perfluorooctane sulfonic acid perfluorooctane-1-sulfonic acid : A perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines.	2.17	1	0	perfluoroalkanesulfonic acid	antilipemic drug; persistent organic pollutant
tutin tutin: neurotoxin found in Coriaria shrubs; hyenanchin is the hydroxy derivative; structure	1.96	1	0	gamma-lactone
2,2-di(4-methacryloxyphenyl)propane 2,2-di(4-methacryloxyphenyl)propane: used in polymers & copolymers of dental materials. bisphenol A dimethacrylate : A bisphenol that is bisphenol A condensed with two molecules of methacrylic acid.	2	1	0	bisphenol; enoate ester	metabolite
1,3-diethyl-2-thiobarbituric acid 1,3-diethyl-2-thiobarbituric acid: used in urinary test for smoking	1.98	1	0
tricine N-tris(hydroxymethyl)methylglycine : A Good's buffer substance, pKa = 8.15 at 20 degreeC.	2.08	1	0	tricine
1,6-hexanediol dimethacrylate [no description available]	3.45	1	1
ferroin ferroin: RN given refers to parent cpd	2.02	1	0
1,2-bis(triethoxysilyl)ethane [no description available]	2.1	1	0
nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum.	2.4	2	0	3-(1-methylpyrrolidin-2-yl)pyridine	anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic
2,2-bis-(4-(2-methacryloxyethoxy)phenyl)propane 2,2-bis-(4-(2-methacryloxyethoxy)phenyl)propane: structure given in first source	2.5	2	0
fibrinogen Fibrinogen: Plasma glycoprotein clotted by thrombin, composed of a dimer of three non-identical pairs of polypeptide chains (alpha, beta, gamma) held together by disulfide bonds. Fibrinogen clotting is a sol-gel change involving complex molecular arrangements: whereas fibrinogen is cleaved by thrombin to form polypeptides A and B, the proteolytic action of other enzymes yields different fibrinogen degradation products.. D-iditol : The D-enantiomer of iditol.	2.11	1	0	iditol	fungal metabolite
2,2-dimethoxy-2-phenylacetophenone [no description available]	3.45	1	1
1,5-i-aedans 1,5-I-AEDANS: fluorescent probes which are sulfhydryl reagents; combine reactivity of iodoacetamide toward sulfhydryl groups with spectral properties of naphthalenesulfonic acids; structure. 5-{[2-(iodoacetamido)ethyl]amino}naphthalene-1-sulfonic acid : An aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with iodoacetyl and 5-sulfonyl-1-naphthyl groups.	2.03	1	0	aminonaphthalenesulfonic acid	fluorescent probe
adenosine 5'-methylenediphosphate [no description available]	2.05	1	0	nucleoside diphosphate analogue
methylumbelliferyl-beta-d-xyloside [no description available]	2	1	0
glycylsarcosine glycylsarcosine : A dipeptide obtained by formal condensation of the carboxy group of glycine with the amino group of sarcosine.	2	1	0	dipeptide zwitterion; dipeptide
5,6-dihydrouridine dihydrouridine : The uridine derivative obtained by formal hydrogenation of the endocyclic double bond in the uracil ring.	1.96	1	0	uridines	biomarker
glucuronic acid Glucuronic Acid: A sugar acid formed by the oxidation of the C-6 carbon of GLUCOSE. In addition to being a key intermediate metabolite of the uronic acid pathway, glucuronic acid also plays a role in the detoxification of certain drugs and toxins by conjugating with them to form GLUCURONIDES.. D-glucuronic acid : The D-enantiomer of glucuronic acid.. D-glucopyranuronic acid : A D-glucuronic acid in cyclic pyranose form.	2.06	1	0	D-glucuronic acid	algal metabolite
phosphoramide mustard [no description available]	1.98	1	0	nitrogen mustard; phosphorodiamide
benzothiazoline [no description available]	2.07	1	0
2-(4-bromo-2,5-dimethoxyphenyl)ethylamine 2-(4-bromo-2,5-dimethoxyphenyl)ethylamine: behaves as a partial agonist toward both alpha1-adrenergic & 5-HT(2) serotonergic receptors. 2,5-dimethoxy-4-bromophenethylamine : A 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.	2.73	3	0	2-arylethylamine
1,1'-binaphthyl-2,2'-diyl hydrogen phosphate 1,1'-binaphthyl-2,2'-diyl hydrogen phosphate: structure in first source	2.11	1	0
2-hydroxyethyl methacrylate phosphate 2-hydroxyethyl methacrylate phosphate: RN given refers to unknown molecular fragment in Chemline	3.46	1	1
cobalt Cobalt: A trace element that is a component of vitamin B12. It has the atomic symbol Co, atomic number 27, and atomic weight 58.93. It is used in nuclear weapons, alloys, and pigments. Deficiency in animals leads to anemia; its excess in humans can lead to erythrocytosis.. cobalt(1+) : A monovalent inorganic cation obtained from cobalt.. cobalt atom : A cobalt group element atom that has atomic number 27.	2.38	2	0	cobalt group element atom; metal allergen	micronutrient
yttrium radioisotopes Yttrium Radioisotopes: Unstable isotopes of yttrium that decay or disintegrate emitting radiation. Y atoms with atomic weights 82-88 and 90-96 are radioactive yttrium isotopes.	2.42	2	0
arginyl-glycyl-aspartic acid arginyl-glycyl-aspartic acid: amino acid sequence of basic unit of widespread cellular recognition system	2.08	1	0	oligopeptide
calcium phosphate, dibasic, dihydrate calcium phosphate, dibasic, dihydrate: Molecular formula CaHPO(4)-2(H2O)	3.16	5	0	calcium salt; hydrate
wr 1065 WR-1065 : An alkanethiol that is the N-3-aminopropyl derivative of cysteamine. Used as the S-phosphorylated prodrug, amifostine, for cytoprotection in cancer chemotherapy and radiotherapy.	2.11	1	0	alkanethiol; diamine	antioxidant; drug metabolite; radiation protective agent
vitamin b 6 Vitamin B 6: VITAMIN B 6 refers to several PICOLINES (especially PYRIDOXINE; PYRIDOXAL; & PYRIDOXAMINE) that are efficiently converted by the body to PYRIDOXAL PHOSPHATE which is a coenzyme for synthesis of amino acids, neurotransmitters (serotonin, norepinephrine), sphingolipids, and aminolevulinic acid. During transamination of amino acids, pyridoxal phosphate is transiently converted into PYRIDOXAMINE phosphate. Although pyridoxine and Vitamin B 6 are still frequently used as synonyms, especially by medical researchers, this practice is erroneous and sometimes misleading (EE Snell; Ann NY Acad Sci, vol 585 pg 1, 1990). Most of vitamin B6 is eventually degraded to PYRIDOXIC ACID and excreted in the urine.	2.03	1	0
methoxyfenozide methoxyfenozide: structure in first source. methoxyfenozide : A carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively.	2.02	1	0	carbohydrazide; monomethoxybenzene	environmental contaminant; insecticide; xenobiotic
cyanates Cyanates: Organic salts of cyanic acid containing the -OCN radical.. cyanates : Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.. isocyanates : Organonitrogen compounds that are derivatives of isocyanic acid; compounds containing the isocyanate functional group -N=C=O (as opposed to the cyanate group, -O-C#N).	2.1	1	0
l-lactic acid (S)-lactic acid : An optically active form of lactic acid having (S)-configuration.	2	1	0	(2S)-2-hydroxy monocarboxylic acid; 2-hydroxypropanoic acid	Escherichia coli metabolite; human metabolite
amiloride, hydrochlorothiazide drug combination amiloride, hydrochlorothiazide drug combination: amiloride hydrochloride and hydrochlorothiazide drug combination.	2	1	0
tryptoline tryptoline: neurotoxic factor that may be involved in development of Parkinson's disease; enzymatic prep from human brain converts tryptamine to tryptoline; RN given refers to parent cpd; structure	2.1	1	0	beta-carbolines
procyanidin Proanthocyanidins: Dimers and oligomers of flavan-3-ol units (CATECHIN analogs) linked mainly through C4 to C8 bonds to leucoanthocyanidins. They are structurally similar to ANTHOCYANINS but are the result of a different fork in biosynthetic pathways.	5.28	6	2	proanthocyanidin
epicatechin gallate epicatechin gallate: a steroid 5alpha-reductase inhibitor; RN given refers to the (cis)-isomer; structure given in first source; isolated from green tea. (-)-epicatechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of epicatechin. A natural product found in Parapiptadenia rigida.	2.03	1	0	catechin; gallate ester; polyphenol	EC 3.2.1.1 (alpha-amylase) inhibitor; EC 3.2.1.20 (alpha-glucosidase) inhibitor; metabolite
phosphites Phosphites: Inorganic salts or organic esters of phosphorous acid that contain the (3-)PO3 radical. (From Grant & Hackh's Chemical Dictionary, 5th ed). phosphite(3-) : A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid.	2.05	1	0	phosphite ion; trivalent inorganic anion
proanthocyanidin proanthocyanidin: RN given refers to proanthocyanidin A; Cannabinoid Receptor CB1 antagonist. proanthocyanidin : A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans.	3.87	2	1
tanshinone tanshinone: from root of Salvia miltiorrhiza Bunge; RN given refers to tanshinone I; cardioprotective agent and neuroprotective agent	2.02	1	0	abietane diterpenoid	anticoronaviral agent
janus green janus green: RN given refers to Cl	2.05	1	0
caprylates Caprylates: Derivatives of caprylic acid. Included under this heading are a broad variety of acid forms, salts, esters, and amides that contain a carboxy terminated eight carbon aliphatic structure.. octanoate : A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.	2.06	1	0	fatty acid anion 8:0; straight-chain saturated fatty acid anion	human metabolite; Saccharomyces cerevisiae metabolite
prisma-fil heliobond: visible-light-curing monomer component of composite resins	8.71	24	8
imidodiphosphonic acid imidodiphosphonic acid: in combination with technetrium, a superior radiopharmaceutical for myocardial infarct imaging; RN given refers to parent cpd	1.98	1	0
carbene carbene: electrically neutral species H2C: and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons; carbene is the name of the parent hydride :CH2 ; hence, the name dichlorocarbene for :CCl2. However, names for acyclic and cyclic hydrocarbons containing one or more divalent carbon atoms are derived from the name of the corresponding all-4-hydrocarbon using the suffix -ylidene; methylene carbene also available. carbene : The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state).	3.96	3	0	carbene; methanediyl
phosphoramide phosphoramide: RN given refers to triamide. phosphoramide : A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2).	7.06	1	0
c & b metabond Super-bond: an adhesive resin composed of 4-methacryloxyethyltrimellitic anhydride (4-META), methylmethacrylates (MMA) and tri-n-butylborane (TBB)	5.48	15	1
vadimezan vadimezan : A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 5,6-dimethyl-9-oxoxanthen-4-yl group.	2	1	0	monocarboxylic acid; xanthones	antineoplastic agent
e 64 E 64: cysteine protease inhibitor of microbial origin, which inhibits cathepsin B (EC 3.4.22.1) and cathepsin L (EC 3.4.22.-)	2.49	2	0	dicarboxylic acid monoamide; epoxy monocarboxylic acid; guanidines; L-leucine derivative; zwitterion	antimalarial; antiparasitic agent; protease inhibitor
tetrahydrocurcumin tetrahydrocurcumin : A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds.	2.07	1	0	beta-diketone; diarylheptanoid; polyphenol	metabolite
n(delta)-(phosphonoacetyl)-l-ornithine [no description available]	2	1	0
4-methylumbelliferylcellobioside 4-methylumbelliferylcellobioside: substrate for cellobiohydrolase I	2	1	0	coumarins; glycoside
methotrexate [no description available]	2.95	4	0	dicarboxylic acid; monocarboxylic acid amide; pteridines	abortifacient; antimetabolite; antineoplastic agent; antirheumatic drug; dermatologic drug; DNA synthesis inhibitor; EC 1.5.1.3 (dihydrofolate reductase) inhibitor; immunosuppressive agent
dihydroethidium dihydroethidium: RN given is for the (+-)-isomer	3.46	1	1
4-methacryloxyethyltrimellitic acid [no description available]	5.06	3	1
sulbactam [no description available]	2.03	1	0	penicillanic acids
aspartame [no description available]	2.03	1	0	carboxylic acid; dipeptide zwitterion; dipeptide; methyl ester	apoptosis inhibitor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; environmental contaminant; micronutrient; nutraceutical; sweetening agent; xenobiotic
methacryloyloxydecyl dihydrogen phosphate methacryloyloxydecyl dihydrogen phosphate: structure given in first source	3.47	7	0
xylose xylopyranose: structure in first source	8.68	9	0	D-xylose
quinone methide quinone methide: intermediate in eumelanin biosynthesis; structure given in first source. quinomethane : A methylidenecyclohexadienone, formally derived from a benzoquinone by replacement of one of the quinone oxygens by a methylidene group.	7.59	2	0	quinomethane
perrhenate perrhenate: RN given refers to cpd with MF of O4-Re	2.03	1	0	monovalent inorganic anion; rhenium oxoanion
cyclohexadienone cyclohexadienone: structure in first source	2.11	1	0
proline Proline: A non-essential amino acid that is synthesized from GLUTAMIC ACID. It is an essential component of COLLAGEN and is important for proper functioning of joints and tendons.. proline : An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2.	2.43	2	0	amino acid zwitterion; glutamine family amino acid; L-alpha-amino acid; proline; proteinogenic amino acid	algal metabolite; compatible osmolytes; Escherichia coli metabolite; micronutrient; mouse metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
ezetimibe Ezetimibe: An azetidine derivative and ANTICHOLESTEREMIC AGENT that inhibits intestinal STEROL absorption. It is used to reduce total CHOLESTEROL; LDL CHOLESTEROL, and APOLIPOPROTEINS B in the treatment of HYPERLIPIDEMIAS.. ezetimibe : A beta-lactam that is azetidin-2-one which is substituted at 1, 3, and 4 by p-fluorophenyl, 3-(p-fluorophenyl)-3-hydroxypropyl, and 4-hydroxyphenyl groups, respectively (the 3R,3'S,4S enantiomer).	2.1	1	0	azetidines; beta-lactam; organofluorine compound	anticholesteremic drug; antilipemic drug; antimetabolite
naproxen Naproxen: An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout.. naproxen : A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.	2.39	2	0	methoxynaphthalene; monocarboxylic acid	antipyretic; cyclooxygenase 1 inhibitor; cyclooxygenase 2 inhibitor; drug allergen; environmental contaminant; gout suppressant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
hydroxyl radical Hydroxyl Radical: The univalent radical OH. Hydroxyl radical is a potent oxidizing agent.	2.94	4	0	oxygen hydride; oxygen radical; reactive oxygen species
camphora camphora: a component of Guanxingao, a kind of traditional Chinese rubber electuary medicine which is able to either cure or guard against coronary heart disease and angina pectoris. (R)-camphor : The (R)- enantiomer of camphor.	1.96	1	0	camphor
adenosine 3'-phosphate-5'-phosphate adenosine 3',5'-bismonophosphate : An adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions.	2.05	1	0	adenosine bisphosphate	Escherichia coli metabolite; mouse metabolite
torcetrapib [no description available]	2.05	1	0	(trifluoromethyl)benzenes; carbamate ester; quinolines	anticholesteremic drug; CETP inhibitor
cerium phosphate cerium phosphate: intermediate product in cerium-based technique for staining lysosomal enzymes	2.01	1	0
titanium phosphate titanium phosphate: RN given refers to unspecified titanium phosphate	2.07	1	0
fenton's reagent Fenton's reagent: used for oxidizing sugars & alcohols	7.44	2	0
carbodiimides Carbodiimides: Compounds with the general formula RN=C=NR, where R is a hydrocarbyl group.. methanediimine : A carbodiimide in which both nitrogens are unsubstituted.	2.57	2	0	carbodiimide
victoria blue 4r Victoria blue 4R: RN given refers to chloride. victoria blue 4R : An iminium salt composed of 4-([4-(dimethylamino)phenyl]{4-[methyl(phenyl)amino]naphthalen-1-yl}methylidene)-N,N-dimethylcyclohexa-2,5-dien-1-iminium and chloride ions in a 1:1 ratio. It binds to nucleic acids and can be used in standardised staining techniques suitable for automated cell-pattern recognition.	1.96	1	0	iminium salt; organic chloride salt	fluorochrome; histological dye
zirconium phosphate zirconium phosphate: reagent for carcinoembryonic antigen determination in plasma from patients having benign or malignant disease; RN given refers to cpd with unspecified ratio	2.11	1	0
calcium pyrophosphate [no description available]	2.67	3	0
4-nitrophenyl beta-cellobioside 4-nitrophenyl beta-cellobioside: RN given refers to (beta)-isomer; see also (alpha)-anomer: 17400-77-0	2	1	0
phosphorodiamidic acid phosphorodiamidic acid: structure in first source	1.98	1	0
silver fluoride [no description available]	2.45	2	0	fluoride salt; silver salt
metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.	2.04	1	0	iodine oxoanion; monovalent inorganic anion
thiophosphoric acid thiophosphoric acid: RN given refers to parent cpd	2.65	3	0	phosphorothioic acid
iron (3+) oxalate Sensodyne: a commercial dentifrice; contains 5% potassium nitrate, 0.76% sodium monofluorophosphate in a dicalcium phosphate dihydrate base	2.45	2	0
aminopterin Aminopterin: A folic acid derivative used as a rodenticide that has been shown to be teratogenic.	6.93	1	0	dicarboxylic acid	EC 1.5.1.3 (dihydrofolate reductase) inhibitor; mutagen
glycyl-prolyl-arginine [no description available]	2.08	1	0	oligopeptide
adenosine 5'-o-(1-thiodiphosphate) adenosine 5'-O-(1-thiodiphosphate): do not confuse with ADP beta S	2.05	1	0
n-methacryloyl-5-aminosalicylic acid N-methacryloyl-5-aminosalicylic acid: a dentin primer	3.47	1	1
biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms.	7.4	2	0	biotins; vitamin B7	coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite
atropine tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate : A tropane alkaloid that is (1R,5)-8-methyl-8-azabicyclo[3.2.1]octane substituted by a (3-hydroxy-2-phenylpropanoyl)oxy group at position 3.	1.96	1	0
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	4.7	26	0
organophosphonates hydrogenphosphite : A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid.	7.19	17	6	divalent inorganic anion; phosphite ion
scutellarin scutellarin: see scutellarein for aglycone. scutellarin : The glycosyloxyflavone which is the 7-O-glucuronide of scutellarein.	2.1	1	0	glucosiduronic acid; glycosyloxyflavone; monosaccharide derivative; trihydroxyflavone	antineoplastic agent; proteasome inhibitor
maltotriose Porcelite: a light-cured composite resin. alpha-maltotriose : A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom..	2.67	3	0	maltotriose trisaccharide	human metabolite
chlorite [no description available]	2.44	2	0	chlorine oxoanion; monovalent inorganic anion
2-deoxystreptamine 2-deoxystreptamine: RN given refers to parent cpd; structure.. 2-deoxystreptamine : An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen.	7.15	1	0
5-hydroxymethylfurfural 5-hydroxymethylfurfural: has antisickling activity; HMF is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo. 5-hydroxymethylfurfural : A member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fresh foods, it is naturally generated in sugar-containing foods during storage, and especially by drying or cooking. It is the causative component in honey that affects the presystemic metabolism and pharmacokinetics of GZ in-vivo.	2.48	2	0	arenecarbaldehyde; furans; primary alcohol	indicator; Maillard reaction product
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.45	2	0
2-oxindole 2-oxindole: RN given refers to parent cpd; structure. indolin-2-one : An indolinone carrying an oxo group at position 2.	3.01	4	0	gamma-lactam; indolinone
dihydropyridines Dihydropyridines: Pyridine moieties which are partially saturated by the addition of two hydrogen atoms in any position.	7.41	1	0
p-hydroxyphenylglycine methyl ester p-hydroxyphenylglycine methyl ester: structure in first source	2.05	1	0
n-acetylneuraminic acid N-Acetylneuraminic Acid: An N-acyl derivative of neuraminic acid. N-acetylneuraminic acid occurs in many polysaccharides, glycoproteins, and glycolipids in animals and bacteria. (From Dorland, 28th ed, p1518). N-acetylneuraminic acid : An N-acylneuraminic acid where the N-acyl group is specified as acetyl.	2.03	1	0	N-acetylneuraminic acids	antioxidant; bacterial metabolite; EC 3.2.1.18 (exo-alpha-sialidase) inhibitor; human metabolite; mouse metabolite
mevalonic acid Mevalonic Acid: A dihydroxy monocarboxylic acid and precursor in the biosynthetic pathway known as the mevalonate pathway, which produces terpenes and steroids that are vital for diverse cellular functions.. mevalonic acid : A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid.. (R)-mevalonic acid : The (R)-enantiomer of mevalonic acid.	2.44	2	0	3,5-dihydroxy-3-methylpentanoic acid
naringenin (S)-naringenin : The (S)-enantiomer of naringenin.	2.08	1	0	(2S)-flavan-4-one; naringenin	expectorant; plant metabolite
epiglucan epiglucan: a highly side-chain/branched alkali-insoluble cell wall glucan from fungus such as Epicoccum nigrum, Botrytis cinerea, ascomycetes & basidiomycetes; also isolated S-4001 from Lei Wan (polyporus mylitiae), HA-beta-glucan from mushroom Pleutotus ostreatus (Fr.) Quel., and translam from seaweed Laminaria cichorioides; with commercially important functional properties including emulsification and friction reduction.	2.44	2	0
laminaran beta-1,3-glucan: component of fungal cell walls; also used as antitumor polysaccharide; unspecified D usually means BETA-GLUCANS; beta-1,3-D-glucan is also available; glucan phosphate is also available; biosynthesis is inhibited by echinocandins (cyclic hexapeptides). laminarin : A polysaccharide composed of beta-(1->3)-linked glucose residues containing sporadic beta-(1->6)-linkages as branch points or inter-residue linkages and 2-3% D-mannitol at some reducing termini.	2.44	2	0
bekanamycin bekanamycin: kanendomycin is the sulfate of bekanamycin; RN given refers to parent cpd; structure	2.15	1	0	kanamycins
ouabain Ouabain: A cardioactive glycoside consisting of rhamnose and ouabagenin, obtained from the seeds of Strophanthus gratus and other plants of the Apocynaceae; used like DIGITALIS. It is commonly used in cell biological studies as an inhibitor of the NA(+)-K(+)-EXCHANGING ATPASE.. cardiac glycoside : Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.. ouabain : A steroid hormone that is a multi-hydroxylated alpha-L-rhamnosyl cardenoloide. It binds to and inhibits the plasma membrane Na(+)/K(+)-ATPase (sodium pump). It has been isolated naturally from Strophanthus gratus.	1.96	1	0	11alpha-hydroxy steroid; 14beta-hydroxy steroid; 5beta-hydroxy steroid; alpha-L-rhamnoside; cardenolide glycoside; steroid hormone	anti-arrhythmia drug; cardiotonic drug; EC 2.3.3.1 [citrate (Si)-synthase] inhibitor; EC 3.1.3.41 (4-nitrophenylphosphatase) inhibitor; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor; EC 3.6.3.9 (Na(+)/K(+)-transporting ATPase) inhibitor; ion transport inhibitor; plant metabolite
allose [no description available]	2.31	1	0	allopyranose; D-allose	antioxidant
taxifolin (+)-taxifolin : A taxifolin that has (2R,3R)-configuration.	2.08	1	0	taxifolin	metabolite
tartaric acid tartaric acid: RN given refers to cpd with unspecified isomeric designation. D-tartaric acid : The D-enantiomer of tartaric acid.	2.73	3	0	tartaric acid	Escherichia coli metabolite
xylose 1-phosphate xylose 1-phosphate: RN refers to (D)-isomer. alpha-D-xylose 1-phosphate : A xylose phosphate that is alpha-D-xylose carrying a phosphate group at position 1.	1.96	1	0	xylose phosphate
adenosine 2',5'-diphosphate [no description available]	2.03	1	0
adenosine 5'-phosphoramidate adenosine 5'-phosphoramidate : The phosphoramadite analogue of AMP.	2.05	1	0	organic phosphoramidate	Mycoplasma genitalium metabolite
dehydroascorbic acid Dehydroascorbic Acid: The reversibly oxidized form of ascorbic acid. It is the lactone of 2,3-DIKETOGULONIC ACID and has antiscorbutic activity in man on oral ingestion.. L-dehydroascorbate : An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.. L-dehydroascorbic acid : Dehydroascorbic acid having the L-configuration.	2.95	1	0	dehydroascorbic acid; vitamin C	coenzyme; mouse metabolite
fructans (2->6)-beta-D-fructan : A fructan compound consisting of repeating (2->6)-beta-linked fructofuranose units.	2.11	1	0
cellulase Cellulase: An endocellulase with specificity for the hydrolysis of 1,4-beta-glucosidic linkages in CELLULOSE, lichenin, and cereal beta-glucans.. beta-cellotriose : A cellotriose with a beta-configuration at the anomeric position.	9.34	19	0	cellotriose
strychnine Strychnine: An alkaloid found in the seeds of STRYCHNOS NUX-VOMICA. It is a competitive antagonist at glycine receptors and thus a convulsant. It has been used as an analeptic, in the treatment of nonketotic hyperglycinemia and sleep apnea, and as a rat poison.. strychnine : A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.	6.92	1	0	monoterpenoid indole alkaloid; organic heteroheptacyclic compound	avicide; cholinergic antagonist; glycine receptor antagonist; neurotransmitter agent; rodenticide
erythronolide b [no description available]	2.15	1	0	erythronolide
beta-D-ribopyranose beta-D-ribopyranose : A D-ribopyranose with a beta-configuration at the anomeric position.	2.05	1	0	D-ribopyranose
picrotoxinin [no description available]	1.96	1	0	epoxide; gamma-lactone; organic heteropentacyclic compound; picrotoxane sesquiterpenoid; tertiary alcohol	GABA antagonist; plant metabolite; serotonergic antagonist
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.73	3	0	cyclodextrin
maleic acid maleic acid: RN given refers to parent cpd(Z)-isomer which is maleic acid; all RR's given refer to (Z)-isomer; (E)-isomer is fumaric acid. maleic acid : A butenedioic acid in which the double bond has cis- (Z)-configuration.	12.52	28	2	butenedioic acid	algal metabolite; mouse metabolite; plant metabolite
ergosterol [no description available]	1.97	1	0	3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; ergostanoid; phytosterols	fungal metabolite; Saccharomyces cerevisiae metabolite
arachidonic acid icosa-5,8,11,14-tetraenoic acid : Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14.. arachidonate : A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.	1.99	1	0	icosa-5,8,11,14-tetraenoic acid; long-chain fatty acid; omega-6 fatty acid	Daphnia galeata metabolite; EC 3.1.1.1 (carboxylesterase) inhibitor; human metabolite; mouse metabolite
fumaric acid fumaric acid: see also record for ferrous fumarate; use FUMARATES for general fumaric acid esters. fumaric acid : A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.	2.41	2	0	butenedioic acid	food acidity regulator; fundamental metabolite; geroprotector
1-(5'-phospho-beta-d-ribofuranosyl)barbituric acid 6-oxouridine 5'-phosphate : A pyrimidine ribonucleoside 5'-monophosphate that is the 6-oxo derivative of UMP.	1.96	1	0	pyrimidine ribonucleoside 5'-monophosphate
retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified).	1.93	1	0	retinol; vitamin A	human metabolite; mouse metabolite; plant metabolite
ferulic acid ferulate : A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid.	7.76	2	0	ferulic acids	anti-inflammatory agent; antioxidant; apoptosis inhibitor; cardioprotective agent; MALDI matrix material; plant metabolite
cocaine Cocaine: An alkaloid ester extracted from the leaves of plants including coca. It is a local anesthetic and vasoconstrictor and is clinically used for that purpose, particularly in the eye, ear, nose, and throat. It also has powerful central nervous system effects similar to the amphetamines and is a drug of abuse. Cocaine, like amphetamines, acts by multiple mechanisms on brain catecholaminergic neurons; the mechanism of its reinforcing effects is thought to involve inhibition of dopamine uptake.. cocaine : A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.	2.08	1	0	benzoate ester; methyl ester; tertiary amino compound; tropane alkaloid	adrenergic uptake inhibitor; central nervous system stimulant; dopamine uptake inhibitor; environmental contaminant; local anaesthetic; mouse metabolite; plant metabolite; serotonin uptake inhibitor; sodium channel blocker; sympathomimetic agent; vasoconstrictor agent; xenobiotic
mycophenolic acid Mycophenolic Acid: Compound derived from Penicillium stoloniferum and related species. It blocks de novo biosynthesis of purine nucleotides by inhibition of the enzyme inosine monophosphate dehydrogenase (IMP DEHYDROGENASE). Mycophenolic acid exerts selective effects on the immune system in which it prevents the proliferation of T-CELLS, LYMPHOCYTES, and the formation of antibodies from B-CELLS. It may also inhibit recruitment of LEUKOCYTES to sites of INFLAMMATION.. mycophenolate : A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of mycophenolic acid.. mycophenolic acid : A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.	2.03	1	0	2-benzofurans; gamma-lactone; monocarboxylic acid; phenols	anticoronaviral agent; antimicrobial agent; antineoplastic agent; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; environmental contaminant; immunosuppressive agent; mycotoxin; Penicillium metabolite; xenobiotic
fosfomycin Fosfomycin: An antibiotic produced by Streptomyces fradiae.. fosfomycin : A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.	2.05	1	0	epoxide; phosphonic acids	antimicrobial agent; EC 2.5.1.7 (UDP-N-acetylglucosamine 1-carboxyvinyltransferase) inhibitor
12-tungstophosphoric acid [no description available]	7.03	1	0
enkephalin, leucine Enkephalin, Leucine: One of the endogenous pentapeptides with morphine-like activity. It differs from MET-ENKEPHALIN in the LEUCINE at position 5. Its first four amino acid sequence is identical to the tetrapeptide sequence at the N-terminal of BETA-ENDORPHIN.. Leu-enkephalin : A pentapeptide comprising L-tyrosine, glycine, glycine, L-phenylalanine and L-leucine residues joined in sequence by peptide linkages. It is an endogenous opioid peptide produced in vertebrate species, including rodents, primates and humans that results from decomposition of proenkephalin or dynorphin and exhibits antinociceptive properties.	2.02	1	0	pentapeptide; peptide zwitterion	analgesic; delta-opioid receptor agonist; human metabolite; mu-opioid receptor agonist; neurotransmitter; rat metabolite
riboflavin vitamin B2 : Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms).	7.68	3	0	flavin; vitamin B2	anti-inflammatory agent; antioxidant; cofactor; Escherichia coli metabolite; food colouring; fundamental metabolite; human urinary metabolite; mouse metabolite; photosensitizing agent; plant metabolite
potassium permanganate Potassium Permanganate: Permanganic acid (HMnO4), potassium salt. A highly oxidative, water-soluble compound with purple crystals, and a sweet taste. (From McGraw-Hill Dictionary of Scientific and Technical Information, 4th ed)	2.48	2	0
sodium bicarbonate Sodium Bicarbonate: A white, crystalline powder that is commonly used as a pH buffering agent, an electrolyte replenisher, systemic alkalizer and in topical cleansing solutions.	4.35	4	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
sodium acetate, anhydrous Sodium Acetate: The trihydrate sodium salt of acetic acid, which is used as a source of sodium ions in solutions for dialysis and as a systemic and urinary alkalizer, diuretic, and expectorant.	2.03	1	0	organic sodium salt	NMR chemical shift reference compound
sodium benzoate Sodium Benzoate: The sodium salt of BENZOIC ACID. It is used as an antifungal preservative in pharmaceutical preparations and foods. It may also be used as a test for liver function.. sodium benzoate : An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion.	2.02	1	0	organic sodium salt	algal metabolite; antimicrobial food preservative; drug allergen; EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor; EC 3.1.1.3 (triacylglycerol lipase) inhibitor; human xenobiotic metabolite; plant metabolite
ammonium acetate ammonium acetate : An ammonium salt obtained by reaction of ammonia with acetic acid. A deliquescent white crystalline solid, it has a relatively low melting point (114degreeC) for a salt. Used as a food acidity regulator, although no longer approved for this purpose in the EU.	2.05	1	0	acetate salt; ammonium salt	buffer; food acidity regulator
crinane crinane: structure in first source	2.17	1	0
trans-4-coumaric acid hydroxycinnamic acid : Any member of the class of cinnamic acids carrying one or more hydroxy substituents.. trans-4-coumaric acid : The trans-isomer of 4-coumaric acid.. 4-coumaric acid : A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.	2.1	1	0	4-coumaric acid	food component; mouse metabolite; plant metabolite
glycosides [no description available]	2.48	2	0
prolinol prolinol: RN given refers to cpd without isomeric designation; structure. prolinol : An amino alcohol formed by reduction of the amino acid proline.	2.02	1	0
pyrophosphate Diphosphates: Inorganic salts of phosphoric acid that contain two phosphate groups.	9.62	6	1	diphosphate ion
etorphine [no description available]	1.96	1	0	alcohol; morphinane alkaloid	opioid analgesic; opioid receptor agonist; sedative
sodium metabisulfite sodium metabisulfite: request from searcher; RN given refers to disulfurous acid, di-Na salt. sodium disulfite : An inorganic sodium salt composed of sodium and disulfite ions in a 2:1 ratio.	2.06	1	0	inorganic sodium salt	food antioxidant
caffeic acid trans-caffeic acid : The trans-isomer of caffeic acid.	2.46	2	0	caffeic acid	geroprotector; mouse metabolite
1,6-anhydro-3,4-dideoxy-beta-d-glycero-hex-3-enopyran-2-ulose 1,6-anhydro-3,4-dideoxyhex-3-enopyran-2-ulose: structure in first source	2.07	1	0	anhydrohexose; deoxyketohexose
isoeugenol trans-isoeugenol : The trans-stereoisomer of isoeugenol.	7.07	1	0	isoeugenol	plant metabolite
flunarizine Flunarizine: Flunarizine is a selective calcium entry blocker with calmodulin binding properties and histamine H1 blocking activity. It is effective in the prophylaxis of migraine, occlusive peripheral vascular disease, vertigo of central and peripheral origin, and as an adjuvant in the therapy of epilepsy.	2.02	1	0	diarylmethane
dieldrin Dieldrin: An organochlorine insecticide whose use has been cancelled or suspended in the United States. It has been used to control locusts, tropical disease vectors, in termite control by direct soil injection, and non-food seed and plant treatment. (From HSDB). dieldrin : An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin.	1.96	1	0	epoxide; organochlorine compound; organochlorine insecticide	carcinogenic agent; xenobiotic
curcumin Curcumin: A yellow-orange dye obtained from tumeric, the powdered root of CURCUMA longa. It is used in the preparation of curcuma paper and the detection of boron. Curcumin appears to possess a spectrum of pharmacological properties, due primarily to its inhibitory effects on metabolic enzymes.. curcumin : A beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa.	2.07	1	0	aromatic ether; beta-diketone; diarylheptanoid; enone; polyphenol	anti-inflammatory agent; antifungal agent; antineoplastic agent; biological pigment; contraceptive drug; dye; EC 1.1.1.205 (IMP dehydrogenase) inhibitor; EC 1.1.1.21 (aldehyde reductase) inhibitor; EC 1.1.1.25 (shikimate dehydrogenase) inhibitor; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; EC 1.8.1.9 (thioredoxin reductase) inhibitor; EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; flavouring agent; food colouring; geroprotector; hepatoprotective agent; immunomodulator; iron chelator; ligand; lipoxygenase inhibitor; metabolite; neuroprotective agent; nutraceutical; radical scavenger
benztropine Benztropine: A centrally active muscarinic antagonist that has been used in the symptomatic treatment of PARKINSON DISEASE. Benztropine also inhibits the uptake of dopamine.. benzatropine : Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments.	1.96	1	0	diarylmethane
thiouracil Thiouracil: Occurs in seeds of Brassica and Crucifera species. Thiouracil has been used as antithyroid, coronary vasodilator, and in congestive heart failure although its use has been largely supplanted by other drugs. It is known to cause blood dyscrasias and suspected of terato- and carcinogenesis.. thiouracil : A nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group.	1.93	1	0	nucleobase analogue; thiocarbonyl compound	antithyroid drug; metabolite
cinnarizine Cinnarizine: A piperazine derivative having histamine H1-receptor and calcium-channel blocking activity with vasodilating and antiemetic properties but it induces PARKINSONIAN DISORDERS.	1.96	1	0	diarylmethane; N-alkylpiperazine; olefinic compound	anti-allergic agent; antiemetic; calcium channel blocker; geroprotector; H1-receptor antagonist; histamine antagonist; muscarinic antagonist
capsaicin ALGRX-4975: an injectable capsaicin (TRPV1 receptor agonist) formulation for longlasting pain relief. capsaicinoid : A family of aromatic fatty amides produced as secondary metabolites by chilli peppers.	3.38	1	1	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
terbinafine [no description available]	2.06	1	0	acetylenic compound; allylamine antifungal drug; enyne; naphthalenes; tertiary amine	EC 1.14.13.132 (squalene monooxygenase) inhibitor; P450 inhibitor; sterol biosynthesis inhibitor
oxazolone Oxazolone: Immunologic adjuvant and sensitizing agent.	7.04	1	0
chlorogenic acid caffeoylquinic acid: Antiviral Agent; structure in first source. chlorogenate : A monocarboxylic acid anion that is the conjugate base of chlorogenic acid; major species at pH 7.3.	2.1	1	0	cinnamate ester; tannin	food component; plant metabolite
thiobarbituric acid thiobarbituric acid: RN given refers to parent cpd. 2-thiobarbituric acid : A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.	1.98	1	0	barbiturates	allergen; reagent
thiourea Thiourea: A photographic fixative used also in the manufacture of resins. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), this substance may reasonably be anticipated to be a carcinogen (Merck Index, 9th ed). Many of its derivatives are ANTITHYROID AGENTS and/or FREE RADICAL SCAVENGERS.. thiourea : The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur.	2.47	2	0	one-carbon compound; thioureas; ureas	antioxidant; chromophore
D-fructopyranose [no description available]	2.06	1	0	cyclic hemiketal; D-fructose; fructopyranose	sweetening agent
tempo TEMPO: structure. TEMPO : A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively.	2.17	1	0	aminoxyls; piperidines	catalyst; ferroptosis inhibitor; radical scavenger
tungsten carbide tungsten carbide: RN given refers to cpd with unspecified MF	6.05	10	3
tamoxifen [no description available]	1.96	1	0	stilbenoid; tertiary amino compound	angiogenesis inhibitor; antineoplastic agent; bone density conservation agent; EC 1.2.3.1 (aldehyde oxidase) inhibitor; EC 2.7.11.13 (protein kinase C) inhibitor; estrogen antagonist; estrogen receptor antagonist; estrogen receptor modulator
nadp [no description available]	2	1	0
valinomycin Valinomycin: A cyclododecadepsipeptide ionophore antibiotic produced by Streptomyces fulvissimus and related to the enniatins. It is composed of 3 moles each of L-valine, D-alpha-hydroxyisovaleric acid, D-valine, and L-lactic acid linked alternately to form a 36-membered ring. (From Merck Index, 11th ed) Valinomycin is a potassium selective ionophore and is commonly used as a tool in biochemical studies.. valinomycin : A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains.	2.25	1	0	cyclodepsipeptide; macrocycle	antimicrobial agent; antiviral agent; bacterial metabolite; potassium ionophore
ranitidine Ranitidine: A non-imidazole blocker of those histamine receptors that mediate gastric secretion (H2 receptors). It is used to treat gastrointestinal ulcers.. ranitidine : A member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease.	2	1	0	C-nitro compound; furans; organic sulfide; tertiary amino compound	anti-ulcer drug; drug allergen; environmental contaminant; H2-receptor antagonist; xenobiotic
lithium Lithium: An element in the alkali metals family. It has the atomic symbol Li, atomic number 3, and atomic weight [6.938; 6.997]. Salts of lithium are used in treating BIPOLAR DISORDER.	2.68	3	0	alkali metal atom
5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1h,7h)one 5-(2'-naphthyl)-7-4-chlorophenyl-(2,3,6,8-tetrahydro)pyrrolo-(3,4-e)(1,4)-diazepine-6-thioxo-8-(1H,7H)one: structure given in first source	1.99	1	0
ketazocine ketazocine: RN given refers to parent cpd(2S-(2alpha,6alpha,11S*))-isomer	1.96	1	0
barium hydroxyapatite barium hydroxyapatite: Ba replaces Ca in hydroxyapatite	1.98	1	0
calixarenes Calixarenes: Phenolic metacyclophanes derived from condensation of PHENOLS and ALDEHYDES. The name derives from the vase-like molecular structures. A bracketed [n] indicates the number of aromatic rings.. calixarenes : Originally macrocyclic compounds capable of assuming a basket (or "calix") shaped conformation. They are formed from p-hydrocarbyl phenols and formaldehyde. The term now applies to a variety of derivatives by substitution of the hydrocarbon cyclo{oligo[(1,3-phenylene)methylene]}.. calixarene : A macrocycle composed of 1,3-phenylene groups linked by methylene groups. The number of 1,3-phenylene units in the macrocycle is denoted by the "n" in calix[n]arene name.	2.04	1	0
chimonanthine chimonanthine: structure in first source. chimonanthine : A ring assembly that is 2,2',3,3',8,8',8a,8a'-octahydro-1H,1'H-3a,3a'-bipyrrolo[2,3-b]indole substituted by methyl groups at positions 1 and 1'.	2.17	1	0	chimonanthine
silicon nitride [no description available]	3.43	1	1
phosphonic acid phosphonic acid : A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to a single hydrogen and two hydroxy groups and via a double bond to an oxygen. The parent of the class of phosphonic acids.	4.42	3	0
metaphosphoric acid metaphosphoric acid: RN given refers to cpd with structure HPO3. phosphonate(1-) : A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid.	7.76	3	0
phosphothreonine Phosphothreonine: The phosphoric acid ester of threonine. Used as an identifier in the analysis of peptides, proteins, and enzymes.. O-phospho-L-threonine : A L-threonine derivative phosphorylated at the side-chain hydroxy function.	2.76	3	0	L-threonine derivative; non-proteinogenic L-alpha-amino acid; O-phosphoamino acid	Escherichia coli metabolite
ovalbumin Ovalbumin: An albumin obtained from the white of eggs. It is a member of the serpin superfamily.	2.79	3	0
sodium dodecyl sulfate Sodium Dodecyl Sulfate: An anionic surfactant, usually a mixture of sodium alkyl sulfates, mainly the lauryl; lowers surface tension of aqueous solutions; used as fat emulsifier, wetting agent, detergent in cosmetics, pharmaceuticals and toothpastes; also as research tool in protein biochemistry.. sodium dodecyl sulfate : An organic sodium salt that is the sodium salt of dodecyl hydrogen sulfate.	3.65	9	0	organic sodium salt	detergent; protein denaturant
chloramine-t chloramine-T: RN given refers to unlabeled parent cpd. chloramine T : An organic sodium salt derivative of toluene-4-sulfonamide with a chloro substituent in place of an amino hydrogen.	2.11	1	0	organic sodium salt	allergen; antifouling biocide; disinfectant
2,4-dinitrophenylhydrazine 2,4-dinitrophenylhydrazine: structure. 2,4-dinitrophenylhydrazine : A C-nitro compound that is phenylhydrazine substituted at the 2- and 4-positions by nitro groups.	2.93	4	0	C-nitro compound; phenylhydrazines	reagent
alpha-chymotrypsin Chymotrypsin: A serine endopeptidase secreted by the pancreas as its zymogen, CHYMOTRYPSINOGEN and carried in the pancreatic juice to the duodenum where it is activated by TRYPSIN. It selectively cleaves aromatic amino acids on the carboxyl side.	1.93	1	0
hydroxyethylcellulose hydroxyethylcellulose: component of contact lens wetting solutions; aldiamed is an artificial saliva; RN given refers to parent cpd. hydroxyethylcellulose : A polysaccharide derivative that is cellulose in which hydroxyethyl groups are bound to some of the hydroxyl groups of the glucopyranose monomers.	2.25	1	0
catechin gallate catechin gallate: structure in first source. (+)-catechin-3-O-gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-catechin.	2.03	1	0	flavans; gallate ester; polyphenol	metabolite
gallocatechin-3-gallate gallocatechin gallate: structure in first source. (+)-gallocatechin gallate : A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of (+)-gallocatechin.	2.03	1	0	catechin; gallate ester; polyphenol	plant metabolite
quercetin [no description available]	2.75	3	0	7-hydroxyflavonol; pentahydroxyflavone	antibacterial agent; antineoplastic agent; antioxidant; Aurora kinase inhibitor; chelator; EC 1.10.99.2 [ribosyldihydronicotinamide dehydrogenase (quinone)] inhibitor; geroprotector; phytoestrogen; plant metabolite; protein kinase inhibitor; radical scavenger
bilirubin [no description available]	2.38	2	0	biladienes; dicarboxylic acid	antioxidant; human metabolite; mouse metabolite
dinoprostone prostaglandin E2 : Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins.	1.96	1	0	prostaglandins E	human metabolite; mouse metabolite; oxytocic
dinoprost Dinoprost: A naturally occurring prostaglandin that has oxytocic, luteolytic, and abortifacient activities. Due to its vasocontractile properties, the compound has a variety of other biological actions.. prostaglandin F2alpha : A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor.	1.96	1	0	monocarboxylic acid; prostaglandins Falpha	human metabolite; mouse metabolite
apigenin Chamomile: Common name for several daisy-like plants (MATRICARIA; TRIPLEUROSPERMUM; ANTHEMIS; CHAMAEMELUM) native to Europe and Western Asia, now naturalized in the United States and Australia.	2.1	1	0	trihydroxyflavone	antineoplastic agent; metabolite
hymecromone Hymecromone: A coumarin derivative possessing properties as a spasmolytic, choleretic and light-protective agent. It is also used in ANALYTICAL CHEMISTRY TECHNIQUES for the determination of NITRIC ACID.	2	1	0	hydroxycoumarin	antineoplastic agent; hyaluronic acid synthesis inhibitor
alprostadil [no description available]	1.96	1	0	prostaglandins E	anticoagulant; human metabolite; platelet aggregation inhibitor; vasodilator agent
rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders.	2.78	3	0	disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone	antioxidant; metabolite
kaempferol [no description available]	2.51	2	0	7-hydroxyflavonol; flavonols; tetrahydroxyflavone	antibacterial agent; geroprotector; human blood serum metabolite; human urinary metabolite; human xenobiotic metabolite; plant metabolite
harmine Harmine: Alkaloid isolated from seeds of PEGANUM HARMALA; ZYGOPHYLLACEAE. It is identical to banisterine, or telepathine, from Banisteria caapi and is one of the active ingredients of hallucinogenic drinks made in the western Amazon region from related plants. It has no therapeutic use, but (as banisterine) was hailed as a cure for postencephalitic PARKINSON DISEASE in the 1920's.. harmine : A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7.	2.07	1	0	harmala alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; metabolite
pulmicort Budesonide: A glucocorticoid used in the management of ASTHMA, the treatment of various skin disorders, and allergic RHINITIS.. budesonide : A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis.	2.03	1	0	11beta-hydroxy steroid; 20-oxo steroid; 21-hydroxy steroid; 3-oxo-Delta(1),Delta(4)-steroid; cyclic acetal; glucocorticoid; primary alpha-hydroxy ketone	anti-inflammatory drug; bronchodilator agent; drug allergen
harman harman: a beta-carboline; RN given refers to parent cpd; structure. harman : An indole alkaloid fundamental parent with a structure of 9H-beta-carboline carrying a methyl substituent at C-1. It has been isolated from the bark of Sickingia rubra, Symplocus racemosa, Passiflora incarnata, Peganum harmala, Banisteriopsis caapi and Tribulus terrestris, as well as from tobacco smoke. It is a specific, reversible inhibitor of monoamine oxidase A.	2.07	1	0	harmala alkaloid; indole alkaloid fundamental parent; indole alkaloid	anti-HIV agent; EC 1.4.3.4 (monoamine oxidase) inhibitor; plant metabolite
mangiferin shamimin: isolated from the leaves of Bombax ceiba; structure in first source	2.6	1	0	C-glycosyl compound; xanthones	anti-inflammatory agent; antioxidant; hypoglycemic agent; plant metabolite
flupenthixol cis-flupenthixol : A flupenthixol in which the double bond adopts a cis-configuration.	1.96	1	0	flupenthixol	dopaminergic antagonist
cerulenin Cerulenin: An epoxydodecadienamide isolated from several species, including ACREMONIUM, Acrocylindrum, and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.. cerulenin : An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function.	1.97	1	0	epoxide; monocarboxylic acid amide	antifungal agent; antiinfective agent; antilipemic drug; antimetabolite; antimicrobial agent; fatty acid synthesis inhibitor
triprolidine Triprolidine: Histamine H1 antagonist used in allergic rhinitis; ASTHMA; and URTICARIA. It is a component of COUGH and COLD medicines. It may cause drowsiness.. triprolidine : An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.	1.96	1	0	N-alkylpyrrolidine; olefinic compound; pyridines	H1-receptor antagonist
morphine Meconium: The thick green-to-black mucilaginous material found in the intestines of a full-term fetus. It consists of secretions of the INTESTINAL GLANDS; BILE PIGMENTS; FATTY ACIDS; AMNIOTIC FLUID; and intrauterine debris. It constitutes the first stools passed by a newborn.	1.98	1	0	morphinane alkaloid; organic heteropentacyclic compound; tertiary amino compound	anaesthetic; drug allergen; environmental contaminant; geroprotector; mu-opioid receptor agonist; opioid analgesic; plant metabolite; vasodilator agent; xenobiotic
adp beta s adenosine 5'-O-(2-thiodiphosphate): partial agonist toward platelet aggregation; see also record for 1-thiodiphosphate cpd	2.05	1	0
kaempferol-3-o-rutinoside kaempferol-3-O-rutinoside: isolated from the methanolic extract of the whole plants of Diodia teres through repeated silica gel and Sephadex LH-20 column chromatography; structure in first source. kaempferol-3-rutinoside : A kaempferol O-glucoside that is kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme.	2.13	1	0	disaccharide derivative; kaempferol O-glucoside; rutinoside; trihydroxyflavone	metabolite; plant metabolite; radical scavenger
spiraeoside spiraeoside: from flowers of Filipendula ulmaria (L.); structure given in first source. quercetin 4'-O-beta-D-glucopyranoside : A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'.	2	1	0	beta-D-glucoside; flavonols; monosaccharide derivative; quercetin O-glucoside; tetrahydroxyflavone	antineoplastic agent; antioxidant; plant metabolite
casein kinase ii Casein Kinase II: A ubiquitous casein kinase that is comprised of two distinct catalytic subunits and dimeric regulatory subunit. Casein kinase II has been shown to phosphorylate a large number of substrates, many of which are proteins involved in the regulation of gene expression.	2	1	0
7-hydroxycoumarin-3-carboxylic acid [no description available]	1.99	1	0
lead Lead: A soft, grayish metal with poisonous salts; atomic number 82, atomic weight 207.2, symbol Pb.	4.12	15	0	carbon group element atom; elemental lead; metal atom	neurotoxin
diamide Diamide: A sulfhydryl reagent which oxidizes sulfhydryl groups to the disulfide form. It is a radiation-sensitizing agent of anoxic bacterial and mammalian cells.	6.93	1	0	1,1'-azobis(N,N-dimethylformamide)
antimony Antimony: A metallic element that has the atomic symbol Sb, atomic number 51, and atomic weight 121.75. It is used as a metal alloy and as medicinal and poisonous salts. It is toxic and an irritant to the skin and the mucous membranes.	2.01	1	0	metalloid atom; pnictogen
cesium Cesium: A member of the alkali metals. It has an atomic symbol Cs, atomic number 50, and atomic weight 132.91. Cesium has many industrial applications, including the construction of atomic clocks based on its atomic vibrational frequency.	1.94	1	0	alkali metal atom
barium Barium: An element of the alkaline earth group of metals. It has an atomic symbol Ba, atomic number 56, and atomic weight 138. All of its acid-soluble salts are poisonous.	3.06	5	0	alkaline earth metal atom; elemental barium
methyl ferulate methyl ferulate: inhibits LDL oxidation; isolated from Chrysanthemum coronarium; structure in first source. trans-methylferulate : A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata.	2.25	1	0	cinnamate ester; guaiacols; methyl ester	plant metabolite
rubidium Rubidium: An element that is an alkali metal. It has an atomic symbol Rb, atomic number 37, and atomic weight 85.47. It is used as a chemical reagent and in the manufacture of photoelectric cells.	1.94	1	0	alkali metal atom
aluminum Aluminum: A metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98.	5.76	11	2	boron group element atom; elemental aluminium; metal atom
strontium Strontium: An element of the alkaline earth family of metals. It has the atomic symbol Sr, atomic number 38, and atomic weight 87.62.	3.22	6	0	alkaline earth metal atom
bismuth Bismuth: A metallic element that has the atomic symbol Bi, and atomic number 83. Its principal isotope is Bismuth 209.	2.1	1	0	metal atom; pnictogen
thallium Thallium: A heavy, bluish white metal, atomic number 81, atomic weight [204.382; 204.385], symbol Tl.. thallium : A metallic element first identified and named from the brilliant green line in its flame spectrum (from Greek thetaalphalambdalambdaomicronsigma, a green shoot).	1.94	1	0	boron group element atom
arsenic Arsenic: A shiny gray element with atomic symbol As, atomic number 33, and atomic weight 75. It occurs throughout the universe, mostly in the form of metallic arsenides. Most forms are toxic. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), arsenic and certain arsenic compounds have been listed as known carcinogens. (From Merck Index, 11th ed)	4.09	14	0	metalloid atom; pnictogen	micronutrient
indium Indium: A metallic element, atomic number 49, atomic weight 114.818, symbol In. It is named from its blue line in the spectrum.. indium atom : A metallic element first identified and named from the brilliant indigo (Latin indicum) blue line in its flame spectrum.	7.69	3	0	boron group element atom
gallium Gallium: A rare, metallic element designated by the symbol, Ga, atomic number 31, and atomic weight 69.72.. gallium atom : A metallic element predicted as eka-aluminium by Mendeleev in 1870 and discovered by Paul-Emile Lecoq de Boisbaudran in 1875. Named in honour of France (Latin Gallia) and perhaps also from the Latin gallus cock, a translation of Lecoq.	1.94	1	0	boron group element atom
sulfur Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.	8.17	5	0	chalcogen; nonmetal atom	macronutrient
calycanthine calycanthine: the principal alkaloid of the plant family Calycanthaceae; RN given refers to (4bS)-(4balpha,5alpha,10balpha,11alpha)-isomer. calycanthine : The principal alkaloid of the plant family Calycanthaceae.	2.17	1	0	aminal; calycanthaceous alkaloid; organonitrogen heterocyclic compound
fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)	2.73	3	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
beryllium Beryllium: An element with the atomic symbol Be, atomic number 4, and atomic weight 9.01218. Short exposure to this element can lead to a type of poisoning known as BERYLLIOSIS.. beryllium atom : Alkaline earth metal atom with atomic number 4.	2.34	2	0	alkaline earth metal atom; elemental beryllium; metal allergen	adjuvant; carcinogenic agent; epitope
cysteine Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.	2.54	2	0	cysteinium	fundamental metabolite
silicon Silicon: A trace element that constitutes about 27.6% of the earth's crust in the form of SILICON DIOXIDE. It does not occur free in nature. Silicon has the atomic symbol Si, atomic number 14, and atomic weight [28.084; 28.086].	4.65	6	1	carbon group element atom; metalloid atom; nonmetal atom
phosphorus Phosphorus: A non-metal element that has the atomic symbol P, atomic number 15, and atomic weight 31. It is an essential element that takes part in a broad variety of biochemical reactions.	5.85	97	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
boron Boron: A trace element with the atomic symbol B, atomic number 5, and atomic weight [10.806; 10.821]. Boron-10, an isotope of boron, is used as a neutron absorber in BORON NEUTRON CAPTURE THERAPY.	2.8	3	0	boron group element atom; metalloid atom; nonmetal atom	micronutrient
guanabenz Guanabenz: An alpha-2 selective adrenergic agonist used as an antihypertensive agent.	1.96	1	0	dichlorobenzene
abscisic acid Abscisic Acid: Abscission-accelerating plant growth substance isolated from young cotton fruit, leaves of sycamore, birch, and other plants, and from potatoes, lemons, avocados, and other fruits.. (S)-2-trans-abscisic acid : A 2-trans-abscisic acid with (S)-configuration at the chiral centre.. (+)-abscisic acid : The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold.	2	1	0	2-trans-abscisic acid
ammonium sulfate Ammonium Sulfate: Sulfuric acid diammonium salt. It is used in CHEMICAL FRACTIONATION of proteins.. ammonium sulfate : An inorganic sulfate salt obtained by reaction of sulfuric acid with two equivalents of ammonia. A high-melting (decomposes above 280degreeC) white solid which is very soluble in water (70.6 g/100 g water at 0degreeC; 103.8 g/100 g water at 100degreeC), it is widely used as a fertilizer for alkaline soils.	2.68	3	0	ammonium salt; inorganic sulfate salt	fertilizer
barium titanate(iv) barium titanate(IV): RN given refers to parent cpd	2.05	1	0
caffeoyl-coenzyme a caffeoyl-coenzyme A: structure given in first source	2	1	0
2-amino-4-methoxy-3-butenoic acid 2-amino-4-methoxy-3-butenoic acid: bacterial toxin isolated from Pseudomonas aeruginosa; RN given refers to (S-(E))-isomer	1.96	1	0
coomassie brilliant blue [no description available]	8.39	7	0
selenium Selenium: An element with the atomic symbol Se, atomic number 34, and atomic weight 78.97. It is an essential micronutrient for mammals and other animals but is toxic in large amounts. Selenium protects intracellular structures against oxidative damage. It is an essential component of GLUTATHIONE PEROXIDASE.	2.6	1	0	chalcogen; nonmetal atom	micronutrient
phosphorus pentoxide phosphorus pentoxide: drying agent for bacterial cultural extracts analyzed by gas-liquid chromatography; structure. diphosphonate(2-) : A divalent inorganic anion obtained by removal of both protons from diphosphonic acid.	7.36	2	0
dimethyl hydrogen phosphite dimethyl hydrogen phosphite: intermediate in production of insecticides or herbicides	2.05	1	0
diphenyl phosphite diphenyl phosphite: a coupling agent for making sterically hindered peptide analogs; structure in first source	2.21	1	0
radium Radium: A radioactive element of the alkaline earth series of metals. It has the atomic symbol Ra and atomic number 88. Radium is the product of the disintegration of URANIUM and is present in pitchblende and all ores containing uranium. It is used clinically as a source of beta and gamma-rays in radiotherapy, particularly BRACHYTHERAPY.	3.28	6	0	alkaline earth metal atom
oxalates Oxalates: Derivatives of OXALIC ACID. Included under this heading are a broad variety of acid forms, salts, esters, and amides that are derived from the ethanedioic acid structure.	6.61	19	3
mevalonolactone mevalonolactone: RN given refers to unlabeled cpd without isomeric designation; structure. mevalonolactone : A racemate comprising equimolar amounts of (R)-mevalonolactone and (S)-mevalonolactone.	2.15	1	0	4-hydroxy-4-methyloxan-2-one	fungal metabolite; plant metabolite
24,25-dihydroxyvitamin d 3 24,25-Dihydroxyvitamin D 3: A physiologically active metabolite of VITAMIN D. The compound is involved in the regulation of calcium metabolism, alkaline phosphatase activity, and enhancing the calcemic effect of CALCITRIOL.	1.96	1	0
lumefantrine Lumefantrine: A fluorene derivative that is used in combination with ARTEMETHER for the treatment of MALARIA (see ARTEMETHER-LUMEFANTRINE DRUG COMBINATION).. lumefantrine : A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria.	2.04	1	0	fluorenes; monochlorobenzenes; secondary alcohol; tertiary amine	antimalarial
4-coumaroyl-coenzyme a 4-coumaroyl-coenzyme A: structure given in first source. trans-4-coumaroyl-CoA : A 4-coumaroyl-CoA in which the double bond of the coumaroyl group has trans-geochemistry.. 4-coumaroyl-CoA : The S-(4-coumaroyl) derivative of coenzyme A.	2	1	0	4-coumaroyl-CoA
salvianolic acid B salvianolic acid B: isolated from Salvia miltiorrhiza. salvianolic acid B : A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza	2.02	1	0	1-benzofurans; catechols; dicarboxylic acid; enoate ester; polyphenol	anti-inflammatory agent; antidepressant; antineoplastic agent; antioxidant; apoptosis inducer; autophagy inhibitor; cardioprotective agent; hepatoprotective agent; hypoglycemic agent; neuroprotective agent; osteogenesis regulator; plant metabolite
1-methyl-d-lysergic acid butanolamide [no description available]	1.96	1	0	ergot alkaloid; monocarboxylic acid amide	serotonergic antagonist; sympatholytic agent; vasoconstrictor agent
adenosine 5'-phosphorothioate adenosine 5'-phosphorothioate: RN given refers to parent cpd	2.05	1	0
phosphocreatine Phosphocreatine: An endogenous substance found mainly in skeletal muscle of vertebrates. It has been tried in the treatment of cardiac disorders and has been added to cardioplegic solutions. (Reynolds JEF(Ed): Martindale: The Extra Pharmacopoeia (electronic version). Micromedex, Inc, Englewood, CO, 1996). phosphagen : Any of a group of guanidine or amidine phosphates that function as storage depots for high-energy phosphate in muscle with the purpose of regenerating ATP from ADP during muscular contraction.. N-phosphocreatine : A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group.	2.44	2	0	phosphagen; phosphoamino acid	human metabolite; mouse metabolite
chlorhexidine Chlorhexidine: A disinfectant and topical anti-infective agent used also as mouthwash to prevent oral plaque.. chlorhexidine : A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.	8.45	47	8	biguanides; monochlorobenzenes	antibacterial agent; antiinfective agent
mannich bases Mannich Bases: Ketonic amines prepared from the condensation of a ketone with formaldehyde and ammonia or a primary or secondary amine. A Mannich base can act as the equivalent of an alpha,beta unsaturated ketone in synthesis or can be reduced to form physiologically active amino alcohols.	2.06	1	0
s 1743 Esomeprazole: The S-isomer of omeprazole.. esomeprazole : A 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has S configuration at the sulfur atom. An inhibitor of gastric acid secretion, it is used (generally as its sodium or magnesium salt) for the treatment of gastro-oesophageal reflux disease, dyspepsia, peptic ulcer disease, and Zollinger-Ellison syndrome.	2.15	1	0	magnesium salt	anti-ulcer drug; EC 3.6.3.10 (H(+)/K(+)-exchanging ATPase) inhibitor
paliperidone palmitate Paliperidone Palmitate: A benzisoxazole derivative and active metabolite of RISPERIDONE that functions as a DOPAMINE D2 RECEPTOR ANTAGONIST and SEROTONIN 5-HT2 RECEPTOR ANTAGONIST. It is an ANTIPSYCHOTIC AGENT used in the treatment of SCHIZOPHRENIA.. 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate : A fatty acid ester obtained by the formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.. paliperidone palmitate : A racemate comprising equimolar amounts of (R)- and (S)-paliperidone palmitate. A long-acting injectable formulation of paliperidone (the major active metabolite of risperidone) that is used for treatment of schizophrenia.	2.11	1	0	1,2-benzoxazoles; fatty acid ester; heteroarylpiperidine; organofluorine compound; pyridopyrimidine
sorbitan monooleate [no description available]	2.05	1	0	fatty acid ester
desbutylbenflumetol desbutylbenflumetol: structure in first source	2.04	1	0
zeolites [no description available]	7.95	4	0
aluminum oxide Aluminum Oxide: An oxide of aluminum, occurring in nature as various minerals such as bauxite, corundum, etc. It is used as an adsorbent, desiccating agent, and catalyst, and in the manufacture of dental cements and refractories.	13.67	52	9
phosphoramidite phosphoramidite: structure in first source. phosphoramidite : A compound with the general formula (RO)2PNR2. Phosphoramidites can be regarded as phosphites that have an NR2 instead of an OH group, or as amides of phosphorous acid.	2.31	1	0
opc-14857 OPC-14857: metabolite of aripiprazole; structure in first source	2.15	1	0
fluorapatite fluorapatite: RN refers to fluorapatite [Ca5F(PO4)3]). apatite : A phosphate mineral with the general formula Ca5(PO4)3X where X = OH, F or Cl.. fluorapatite : A phosphate mineral with the formula Ca5(PO4)3F.	2.1	1	0
struvite Struvite: The mineral magnesium ammonium phosphate with the formula NH4MgPO4. It is associated with urea-splitting organisms in a high magnesium, high phosphate, alkaline environment. Accumulation of crystallized struvite is found in the urinary tract as struvite CALCULI and as scale on sewage system equipment and wastewater pipes.	7.78	3	0	hydrate; phosphate mineral	fertilizer
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.04	1	0
ribose ribopyranose : The pyranose form of ribose.	2.17	1	0	D-ribose; ribopyranose
rhazinilam rhazinilam: tetracyclic structure comprises phenyl-pyrrole bridged by a nine-membered lactam ring; novel alkaloid isolated from Aspidosperma quebrachoblanco leaves; possesses mild analgesic activity in mice; RN given refers to (8aR-(8aR,14aR))-isomer; structure	7.1	1	0
sepharose agarose : A linear polysaccharide made up from alternating D-galactose and 3,6-anhydro-alpha-L-galactopyranose residues joined by alpha-(1->3)- and beta-(1->4)-linkages.	2.1	1	0
scopolamine hydrobromide [no description available]	1.96	1	0
dihydrotachysterol Dihydrotachysterol: A VITAMIN D that can be regarded as a reduction product of vitamin D2.. dihydrotachysterol : A hydroxy seco-steroid that is 9,10-secoergosta-5,7,22-triene substituted by a hydroxy group at position 3. A synthetic analogue of vitamin D that acts a bone density conservation agent.	1.93	1	0
acid phosphatase Acid Phosphatase: An enzyme that catalyzes the conversion of an orthophosphoric monoester and water to an alcohol and orthophosphate. EC 3.1.3.2.	2.71	3	0
cyanidin-3-o-beta-glucopyranoside cyanidin-3-O-beta-glucopyranoside: a natural compound distributed in several fruits & vegetables, such as strawberry, rhubarb, cherry, red cabbage, red onion, cranberries, etc.	2.21	1	0
thiamine pyrophosphate Thiamine Triphosphate: 3-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(4,6,8,8-tetrahydroxy-3,5,7-trioxa-4,6,8-triphosphaoct-1-yl)thiazolium hydroxide, inner salt, P,P',P''-trioxide. The triphosphate ester of thiamine. In Leigh's disease, this compound is present in decreased amounts in the brain due to a metabolic block in its formation.. thiamine(1+) triphosphate(4-) : Trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate.	2.01	1	0	organophosphate oxoanion; vitamin B1	human metabolite; Saccharomyces cerevisiae metabolite
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	1.96	1	0	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	3.43	1	1
oligonucleotides [no description available]	2.71	3	0
anticodon Anticodon: The sequential set of three nucleotides in TRANSFER RNA that interacts with its complement in MESSENGER RNA, the CODON, during translation in the ribosome.	2	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	5.5	61	0	glycoside
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2.35	2	0	1,2-diacyl-sn-glycero-3-phosphocholine
chlorophyll a Chlorophyll: Porphyrin derivatives containing magnesium that act to convert light energy in photosynthetic organisms.. chlorophyll : A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain.	2	1	0	chlorophyll; methyl ester	cofactor
phenylmercuric acetate Phenylmercuric Acetate: A phenyl mercury compound used mainly as a fungicide. Has also been used as a herbicide, slimicide, and bacteriocide.	2.08	1	0	arylmercury compound; benzenes
4-aminophenylmercuriacetate 4-aminophenylmercuriacetate: covalently linked to agarose for purification of FAD & COA with chromatography	2.08	1	0
bi(otf)3 Bi(OTf)3: structure in first source	2.08	1	0
chitosan [no description available]	3.93	12	0
mesna Mesna: A sulfhydryl compound used to prevent urothelial toxicity by inactivating metabolites from ANTINEOPLASTIC AGENTS, such as IFOSFAMIDE or CYCLOPHOSPHAMIDE.	2.17	1	0	organosulfonic acid
sodium hypochlorite Sodium Hypochlorite: It is used as an oxidizing and bleaching agent and as a disinfectant. (From Grant & Hackh's Chemical Dictionary, 5th ed). sodium hypochlorite : An inorganic sodium salt in which hypochlorite is the counterion. It is used as a bleaching and disinfecting agent and is commonly found in household bleach.	9.76	64	9	inorganic sodium salt	bleaching agent; disinfectant
taurocholic acid, monosodium salt [no description available]	2	1	0	bile salt
4-hydroxymercuribenzoate [no description available]	1.96	1	0
sodium nitrite Sodium Nitrite: Nitrous acid sodium salt. Used in many industrial processes, in meat curing, coloring, and preserving, and as a reagent in ANALYTICAL CHEMISTRY TECHNIQUES. It is used therapeutically as an antidote in cyanide poisoning. The compound is toxic and mutagenic and will react in vivo with secondary or tertiary amines thereby producing highly carcinogenic nitrosamines.. sodium nitrite : An inorganic sodium salt having nitrite as the counterion. Used as a food preservative and antidote to cyanide poisoning.	2.1	1	0	inorganic sodium salt; nitrite salt	antidote to cyanide poisoning; antihypertensive agent; antimicrobial food preservative; food antioxidant; poison
sarkosyl sarkosyl: RN given is for sarkosyl L, the parent cpd; structure	1.96	1	0
chiniofon Hydroxyquinolines: The 8-hydroxy derivatives inhibit various enzymes and their halogenated derivatives, though neurotoxic, are used as topical anti-infective agents, among other uses.	2	1	0
methyl jasmonate [no description available]	2.31	1	0
s-adenosylmethionine (R)-S-adenosyl-L-methionine : An S-adenosyl-L-methionine that has R-configuration.. S-adenosyl-L-methionine zwitterion : A zwitterionic tautomer of S-adenosyl-L-methionine arising from shift of the proton from the carboxy group to the amino group.. (R)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has R-configuration; major species at pH 7.3.. (S)-S-adenosyl-L-methionine zwitterion : An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3.. S-adenosyl-L-methionine : A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine.	2	1	0	organic cation; sulfonium compound	coenzyme; cofactor; human metabolite; micronutrient; Mycoplasma genitalium metabolite; nutraceutical; Saccharomyces cerevisiae metabolite
superphosphate superphosphate: RN given refers to normal or enriched superphosphate, MF unknown	1.99	1	0
4,4-difluoro-4-bora-3a,4a-diaza-s-indacene [no description available]	2.13	1	0	BODIPY compound
pyromorphite [no description available]	7.01	1	0
aniline blue aniline blue: fluorochrom widely used by botanists	1.96	1	0
mannans [no description available]	2.77	3	0
bixalomer bixalomer: a gastrointestinal agent	3.18	1	0
phosphinothricin phosphinothricin: RN given refers to parent cpd with unspecified isomeric designation; structure. phosphinothricin(1-) : Conjugate base of phosphinothricin arising from deprotonation of the phosphinate function.	2.06	1	0	organic anion
feruloyl-coa feruloyl-CoA(4-) : An acyl-CoA(4-) that is the tetraanion of feruloyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.. trans-feruloyl-CoA(4-) : An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-trans-feruloyl-CoA. Major structure at pH 7.3.	2	1	0	feruloyl-CoA(4-)
piperidines Piperidines: A family of hexahydropyridines.	2.79	3	0
heliosit [no description available]	5.61	3	2
methylcellulose Methylcellulose: Methylester of cellulose. Methylcellulose is used as an emulsifying and suspending agent in cosmetics, pharmaceutics and the chemical industry. It is used therapeutically as a bulk laxative.	2.45	2	0
isoquercitrin [no description available]	2	1	0
ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms.	6.6	18	1	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
tetracycline Tetracycline: A naphthacene antibiotic that inhibits AMINO ACYL TRNA binding during protein synthesis.. tetracycline : A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria.	2.97	4	0
chlortetracycline Chlortetracycline: A TETRACYCLINE with a 7-chloro substitution.. chlortetracycline : A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens.	1.93	1	0
dicumarol Dicumarol: An oral anticoagulant that interferes with the metabolism of vitamin K. It is also used in biochemical experiments as an inhibitor of reductases.	1.96	1	0	hydroxycoumarin	anticoagulant; EC 1.6.5.2 [NAD(P)H dehydrogenase (quinone)] inhibitor; Hsp90 inhibitor; vitamin K antagonist
warfarin Warfarin: An anticoagulant that acts by inhibiting the synthesis of vitamin K-dependent coagulation factors. Warfarin is indicated for the prophylaxis and/or treatment of venous thrombosis and its extension, pulmonary embolism, and atrial fibrillation with embolization. It is also used as an adjunct in the prophylaxis of systemic embolism after myocardial infarction. Warfarin is also used as a rodenticide.. warfarin : A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice.. 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one : A member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group.	2.38	2	0	benzenes; hydroxycoumarin; methyl ketone
rutascorbin [no description available]	2.17	1	0
whitlockite whitlockite: structure; used to coat metal implants	1.99	1	0
clay Clay: A naturally-occurring rock or soil constituent characterized by particles with a diameter of less than 0.005 mm. It is composed primarily of hydrous aluminum silicates, trace amounts of metal OXIDES, and organic matter.	1.96	1	0
gluma Gluma: bonding agent; aqueous solution of hydroxyethylmethacrylate & glutaral	10.32	13	1
transforming growth factor beta Transforming Growth Factor beta: A factor synthesized in a wide variety of tissues. It acts synergistically with TGF-alpha in inducing phenotypic transformation and can also act as a negative autocrine growth factor. TGF-beta has a potential role in embryonal development, cellular differentiation, hormone secretion, and immune function. TGF-beta is found mostly as homodimer forms of separate gene products TGF-beta1, TGF-beta2 or TGF-beta3. Heterodimers composed of TGF-beta1 and 2 (TGF-beta1.2) or of TGF-beta2 and 3 (TGF-beta2.3) have been isolated. The TGF-beta proteins are synthesized as precursor proteins.	1.99	1	0
merrifield resin Merrifield resin: used as support for solid phase synthesis of thiol-terminated peptides	7.6	1	0
leuconoxine leuconoxine: from Leuconotis eugenefolia; structure in first source	7.11	1	0	alkaloid	metabolite
agar Agar: A complex sulfated polymer of galactose units, extracted from Gelidium cartilagineum, Gracilaria confervoides, and related red algae. It is used as a gel in the preparation of solid culture media for microorganisms, as a bulk laxative, in making emulsions, and as a supporting medium for immunodiffusion and immunoelectrophoresis.. agar : A complex mixture of polysaccharides extracted from species of red algae. Its two main components are agarose and agaropectin. Agarose is the component responsible for the high-strength gelling properties of agar, while agaropectin provides the viscous properties.	2.05	1	0
glutaminase [no description available]	2.4	2	0
alcohol oxidase [no description available]	2.04	1	0
caseins Caseins: A mixture of related phosphoproteins occurring in milk and cheese. The group is characterized as one of the most nutritive milk proteins, containing all of the common amino acids and rich in the essential ones.	7.15	12	3
nitrophenols Nitrophenols: PHENOLS carrying nitro group substituents.	2.35	2	0
cobinamide [no description available]	7.37	2	0
hyaluronoglucosaminidase Hyaluronoglucosaminidase: An enzyme that catalyzes the random hydrolysis of 1,4-linkages between N-acetyl-beta-D-glucosamine and D-glucuronate residues in hyaluronate. (From Enzyme Nomenclature, 1992) There has been use as ANTINEOPLASTIC AGENTS to limit NEOPLASM METASTASIS.	2.25	1	0
feldspar feldspar: structure	5.91	12	2
daptomycin [no description available]	2.1	1	0
vitamin b 12 Vitamin B 12: A cobalt-containing coordination compound produced by intestinal micro-organisms and found also in soil and water. Higher plants do not concentrate vitamin B 12 from the soil and so are a poor source of the substance as compared with animal tissues. INTRINSIC FACTOR is important for the assimilation of vitamin B 12.	7.34	2	0
orabase Orabase: used in therapy of oral mucosal ulcers	3.02	4	0
muramidase Muramidase: A basic enzyme that is present in saliva, tears, egg white, and many animal fluids. It functions as an antibacterial agent. The enzyme catalyzes the hydrolysis of 1,4-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrin. EC 3.2.1.17.	2.03	1	0
chondroitin sulfates Chondroitin Sulfates: Derivatives of chondroitin which have a sulfate moiety esterified to the galactosamine moiety of chondroitin. Chondroitin sulfate A, or chondroitin 4-sulfate, and chondroitin sulfate C, or chondroitin 6-sulfate, have the sulfate esterified in the 4- and 6-positions, respectively. Chondroitin sulfate B (beta heparin; DERMATAN SULFATE) is a misnomer and this compound is not a true chondroitin sulfate.	2.77	3	0
all-bond 2 All-Bond 2: a 2-component primer system; primer A contains 2% sodium salt of N-p-tolylglycineglycidyl methacrylate	6.53	13	4
guanosine diphosphate Guanosine Diphosphate: A guanine nucleotide containing two phosphate groups esterified to the sugar moiety.	2.37	2	0	guanosine 5'-phosphate; purine ribonucleoside 5'-diphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine triphosphate Guanosine Triphosphate: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety.	2.03	1	0	guanosine 5'-phosphate; purine ribonucleoside 5'-triphosphate	Escherichia coli metabolite; mouse metabolite; uncoupling protein inhibitor
guanosine ribonucleoside : Any nucleoside where the sugar component is D-ribose.	6.93	1	0	guanosines; purines D-ribonucleoside	fundamental metabolite
folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin.	2.07	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
clozapine Clozapine: A tricylic dibenzodiazepine, classified as an atypical antipsychotic agent. It binds several types of central nervous system receptors, and displays a unique pharmacological profile. Clozapine is a serotonin antagonist, with strong binding to 5-HT 2A/2C receptor subtype. It also displays strong affinity to several dopaminergic receptors, but shows only weak antagonism at the dopamine D2 receptor, a receptor commonly thought to modulate neuroleptic activity. Agranulocytosis is a major adverse effect associated with administration of this agent.. clozapine : A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia.	1.96	1	0	benzodiazepine; N-arylpiperazine; N-methylpiperazine; organochlorine compound	adrenergic antagonist; dopaminergic antagonist; EC 3.4.21.26 (prolyl oligopeptidase) inhibitor; environmental contaminant; GABA antagonist; histamine antagonist; muscarinic antagonist; second generation antipsychotic; serotonergic antagonist; xenobiotic
oxypurinol Oxypurinol: A xanthine oxidase inhibitor.. alloxanthine : A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6.	1.96	1	0	pyrazolopyrimidine	drug metabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor
allopurinol Allopurinol: A XANTHINE OXIDASE inhibitor that decreases URIC ACID production. It also acts as an antimetabolite on some simpler organisms.. allopurinol : A bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring.	1.96	1	0	nucleobase analogue; organic heterobicyclic compound	antimetabolite; EC 1.17.3.2 (xanthine oxidase) inhibitor; gout suppressant; radical scavenger
trypan blue Trypan Blue: A diazo-naphthalene sulfonate that is widely used as a stain.. trypan blue : An organosulfonate salt that is the tetrasodium salt of 3,3'-[(3,3'-dimethylbiphenyl-4,4'-diyl)didiazene-2,1-diyl]bis(5-amino-4-hydroxynaphthalene-2,7-disulfonic acid).	2.02	1	0
remazol black b Remazol black B: RN given refers to the tetrasodium salt. remazole black-GR : A bis(azo) compound with two aryldiazenyl moieties placed at positions 2 and 7 of a multi-substituted naphthalene.	2.05	1	0
arsenazo iii Arsenazo III: Metallochrome indicator that changes color when complexed to the calcium ion under physiological conditions. It is used to measure local calcium ion concentrations in vivo.	2.1	1	0
imidacloprid imidacloprid: systemic & contact insecticide exhibiting low mammalian toxicity; structure given in first source; it is one of the neonicotinoid insecticides, which acts as an antagonist by binding to postsynaptic nicotinic receptors in the insect central nervous system. imidacloprid : An imidazolidine that is N-nitroimidazolidin-2-imine bearing a (6-chloro-3-pyridinyl)methyl substituent at position 1.	2.15	1	0	imidacloprid; imidazolidines; monochloropyridine	environmental contaminant; genotoxin; neonicotinoid insectide; nicotinic acetylcholine receptor agonist; xenobiotic
cyclic guanosine monophosphate-adenosine monophosphate 2'-3'-cGAMP : A cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'- and 2',5'-linkages respectively.	2.31	1	0	adenyl ribonucleotide; cyclic purine dinucleotide; guanyl ribonucleotide
fructooligosaccharide [no description available]	2.03	1	0	oligosaccharide
maltodextrin maltodextrin : A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds.	7	1	0
mordenite [no description available]	7.05	1	0
phosphorus radioisotopes Phosphorus Radioisotopes: Unstable isotopes of phosphorus that decay or disintegrate emitting radiation. P atoms with atomic weights 28-34 except 31 are radioactive phosphorus isotopes.	4.01	14	0
tetrafluoroaluminate tetrafluoroaluminate: induces inositol phosphate formation	1.99	1	0
phenanthrenes Phenanthrenes: POLYCYCLIC AROMATIC HYDROCARBONS composed of three fused BENZENE rings.. phenanthrenes : Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof.	2.02	1	0

Condition	Relationship Strength	Studies	Trials
Acute Liver Injury, Drug-Induced [description not available]	2.49	2	0
Adverse Drug Event [description not available]	2.06	1	0
Chemical and Drug Induced Liver Injury A spectrum of clinical liver diseases ranging from mild biochemical abnormalities to ACUTE LIVER FAILURE, caused by drugs, drug metabolites, herbal and dietary supplements and chemicals from the environment.	2.49	2	0
Drug-Related Side Effects and Adverse Reactions Disorders that result from the intended use of PHARMACEUTICAL PREPARATIONS. Included in this heading are a broad variety of chemically-induced adverse conditions due to toxicity, DRUG INTERACTIONS, and metabolic effects of pharmaceuticals.	2.06	1	0
Urinary Lithiasis [description not available]	2.41	1	0
Urolithiasis Formation of stones in any part of the URINARY TRACT, usually in the KIDNEY; URINARY BLADDER; or the URETER.	2.41	1	0
Demineralization, Tooth [description not available]	10.22	62	5
Periimplantitis [description not available]	3.52	1	0
Peri-Implantitis An inflammatory process with loss of supporting bone in the tissues surrounding functioning DENTAL IMPLANTS.	3.52	1	0
Tooth Fractures Break or rupture of a tooth or tooth root.	7.59	17	9
Caries, Dental [description not available]	14.21	89	40
Dental Caries Localized destruction of the tooth surface initiated by decalcification of the enamel followed by enzymatic lysis of organic structures and leading to cavity formation. If left unchecked, the cavity may penetrate the enamel and dentin and reach the pulp.	14.21	89	40
Poisoning, Lead [description not available]	2.74	3	0
Lead Poisoning Poisoning that results from chronic or acute ingestion, injection, inhalation, or skin absorption of LEAD or lead compounds.	2.74	3	0
Electrolytes Substances that dissociate into two or more ions, to some extent, in water. Solutions of electrolytes thus conduct an electric current and can be decomposed by it (ELECTROLYSIS). (Grant & Hackh's Chemical Dictionary, 5th ed)	4.64	26	0
Elevated Cholesterol [description not available]	2.31	1	0
Hypercholesterolemia A condition with abnormally high levels of CHOLESTEROL in the blood. It is defined as a cholesterol value exceeding the 95th percentile for the population.	2.31	1	0
Dental Leakage The seepage of fluids, debris, and micro-organisms between the walls of a prepared dental cavity and the restoration.	12.17	84	31
Dental Fluoroses [description not available]	6.37	14	3
Fluorosis, Dental A chronic endemic form of hypoplasia of the dental enamel caused by drinking water with a high fluorine content during the time of tooth formation, and characterized by defective calcification that gives a white chalky appearance to the enamel, which gradually undergoes brown discoloration. (Jablonski's Dictionary of Dentistry, 1992, p286)	6.37	14	3
Amelogenesis Imperfecta A clinically and genetically heterogeneous group of hereditary conditions characterized by malformed DENTAL ENAMEL, usually involving DENTAL ENAMEL HYPOPLASIA and/or TOOTH HYPOMINERALIZATION.	2.53	2	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	3.12	5	0
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	4.92	35	0
Dementia Praecox [description not available]	2.15	1	0
Schizophrenia A severe emotional disorder of psychotic depth characteristically marked by a retreat from reality with delusion formation, HALLUCINATIONS, emotional disharmony, and regressive behavior.	2.15	1	0
Dehydration The condition that results from excessive loss of water from a living organism.	2.17	1	0
Smear Layer Adherent debris produced when cutting the enamel or dentin in cavity preparation. It is about 1 micron thick and its composition reflects the underlying dentin, although different quantities and qualities of smear layer can be produced by the various instrumentation techniques. Its function is presumed to be protective, as it lowers dentin permeability. However, it masks the underlying dentin and interferes with attempts to bond dental material to the dentin.	14.64	73	18
Dentin Hypersensitivity [description not available]	9.53	20	10
Tooth Erosion Progressive loss of the hard substance of a tooth by chemical processes that do not involve bacterial action. (Jablonski, Dictionary of Dentistry, 1992, p296)	10.43	22	7
Disease Exacerbation [description not available]	5.28	4	1
Tooth Discoloration Any change in the hue, color, or translucency of a tooth due to any cause. Restorative filling materials, drugs (both topical and systemic), pulpal necrosis, or hemorrhage may be responsible. (Jablonski, Dictionary of Dentistry, 1992, p253)	6.42	15	3
Dental Fissure [description not available]	12.85	26	19
Chronic Kidney Diseases [description not available]	3	1	0
Coronary Heart Disease [description not available]	3	1	0
Secondary Hyperparathyroidism [description not available]	3	1	0
Coronary Disease An imbalance between myocardial functional requirements and the capacity of the CORONARY VESSELS to supply sufficient blood flow. It is a form of MYOCARDIAL ISCHEMIA (insufficient blood supply to the heart muscle) caused by a decreased capacity of the coronary vessels.	3	1	0
Hyperparathyroidism, Secondary Abnormally elevated PARATHYROID HORMONE secretion as a response to HYPOCALCEMIA. It is caused by chronic KIDNEY FAILURE or other abnormalities in the controls of bone and mineral metabolism, leading to various BONE DISEASES, such as RENAL OSTEODYSTROPHY.	3	1	0
Renal Insufficiency, Chronic Conditions in which the KIDNEYS perform below the normal level for more than three months. Chronic kidney insufficiency is classified by five stages according to the decline in GLOMERULAR FILTRATION RATE and the degree of kidney damage (as measured by the level of PROTEINURIA). The most severe form is the end-stage renal disease (CHRONIC KIDNEY FAILURE). (Kidney Foundation: Kidney Disease Outcome Quality Initiative, 2002)	3	1	0
Hyperphosphatemia A condition of abnormally high level of PHOSPHATES in the blood, usually significantly above the normal range of 0.84-1.58 mmol per liter of serum.	3	1	0
Low Back Ache [description not available]	2.08	1	0
Low Back Pain Acute or chronic pain in the lumbar or sacral regions, which may be associated with musculo-ligamentous SPRAINS AND STRAINS; INTERVERTEBRAL DISK DISPLACEMENT; and other conditions.	2.08	1	0
Aging The gradual irreversible changes in structure and function of an organism that occur as a result of the passage of time.	2.91	4	0
Gingivitis Inflammation of gum tissue (GINGIVA) without loss of connective tissue.	4.42	2	2
Teeth, Devitalized [description not available]	8	18	13
Dental Wear [description not available]	4.17	3	1
Blood Clot [description not available]	2.1	1	0
Prosthesis Durability [description not available]	2.1	1	0
Cardiovascular Diseases Pathological conditions involving the CARDIOVASCULAR SYSTEM including the HEART; the BLOOD VESSELS; or the PERICARDIUM.	2.1	1	0
Thrombosis Formation and development of a thrombus or blood clot in the blood vessel.	2.1	1	0
Abrasion, Dental [description not available]	5.57	9	2
Benign Neoplasms [description not available]	4.13	6	0
Neoplasms New abnormal growth of tissue. Malignant neoplasms show a greater degree of anaplasia and have the properties of invasion and metastasis, compared to benign neoplasms.	4.13	6	0
Burns, Chemical Burns caused by contact with or exposure to CAUSTICS or strong ACIDS.	2.73	3	0
Facial Injuries General or unspecified injuries to the soft tissue or bony portions of the face.	2.1	1	0
Metabolic Acidosis [description not available]	3.83	4	0
Hyperpotassemia [description not available]	3.01	1	0
Circulatory Collapse [description not available]	3.29	2	0
Acidosis A pathologic condition of acid accumulation or depletion of base in the body. The two main types are RESPIRATORY ACIDOSIS and metabolic acidosis, due to metabolic acid build up.	3.83	4	0
Hyperkalemia Abnormally high potassium concentration in the blood, most often due to defective renal excretion. It is characterized clinically by electrocardiographic abnormalities (elevated T waves and depressed P waves, and eventually by atrial asystole). In severe cases, weakness and flaccid paralysis may occur. (Dorland, 27th ed)	3.01	1	0
Hypocalcemia Reduction of the blood calcium below normal. Manifestations include hyperactive deep tendon reflexes, Chvostek's sign, muscle and abdominal cramps, and carpopedal spasm. (Dorland, 27th ed)	3.83	4	0
Shock A pathological condition manifested by failure to perfuse or oxygenate vital organs.	3.29	2	0
Hypophosphatemia A condition of an abnormally low level of PHOSPHATES in the blood.	3.01	1	0
Bruxism A disorder characterized by grinding and clenching of the teeth.	2.11	1	0
Chronic Illness [description not available]	2.7	3	0
Weight Reduction [description not available]	2.1	1	0
Chronic Disease Diseases which have one or more of the following characteristics: they are permanent, leave residual disability, are caused by nonreversible pathological alteration, require special training of the patient for rehabilitation, or may be expected to require a long period of supervision, observation, or care (Dictionary of Health Services Management, 2d ed). For epidemiological studies chronic disease often includes HEART DISEASES; STROKE; CANCER; and diabetes (DIABETES MELLITUS, TYPE 2).	2.7	3	0
Diabetes Mellitus A heterogeneous group of disorders characterized by HYPERGLYCEMIA and GLUCOSE INTOLERANCE.	2.64	3	0
Kidney Diseases Pathological processes of the KIDNEY or its component tissues.	2.42	2	0
Weight Loss Decrease in existing BODY WEIGHT.	2.1	1	0
Angle's Classification [description not available]	6.18	4	3
Malocclusion Such malposition and contact of the maxillary and mandibular teeth as to interfere with the highest efficiency during the excursive movements of the jaw that are essential for mastication. (Jablonski, Illustrated Dictionary of Dentistry, 1982)	6.18	4	3
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.48	2	0
Diathesis [description not available]	2.11	1	0
Hospital-Acquired Condition [description not available]	2.11	1	0
Cancer of Lung [description not available]	2.13	1	0
Lung Neoplasms Tumors or cancer of the LUNG.	2.13	1	0
Dental Enamel Hypoplasia An acquired or hereditary condition due to deficiency in the formation of tooth enamel (AMELOGENESIS). It is usually characterized by defective, thin, or malformed DENTAL ENAMEL. Risk factors for enamel hypoplasia include gene mutations, nutritional deficiencies, diseases, and environmental factors.	2.47	2	0
Caries, Cervical [description not available]	2.43	2	0
B16 Melanoma [description not available]	2.04	1	0
Alcoholic Intoxication An acute brain syndrome which results from the excessive ingestion of ETHANOL or ALCOHOLIC BEVERAGES.	2.04	1	0
Recrudescence [description not available]	4.35	2	2
Periodontitis, Acute Nonsuppurative [description not available]	3.43	1	1
Periapical Periodontitis Inflammation of the PERIAPICAL TISSUE. It includes general, unspecified, or acute nonsuppurative inflammation. Chronic nonsuppurative inflammation is PERIAPICAL GRANULOMA. Suppurative inflammation is PERIAPICAL ABSCESS.	3.43	1	1
Attrition, Dental [description not available]	4.4	2	2
Attachment Loss, Periodontal [description not available]	2.44	2	0
Parodontosis [description not available]	2.05	1	0
Pocket, Periodontal [description not available]	2.05	1	0
Hemorrhage, Gingival [description not available]	4.11	3	1
Gingival Hemorrhage The flowing of blood from the marginal gingival area, particularly the sulcus, seen in such conditions as GINGIVITIS, marginal PERIODONTITIS, injury, and ASCORBIC ACID DEFICIENCY.	4.11	3	1
Periodontal Diseases Pathological processes involving the PERIODONTIUM including the gum (GINGIVA), the alveolar bone (ALVEOLAR PROCESS), the DENTAL CEMENTUM, and the PERIODONTAL LIGAMENT.	2.05	1	0
Periodontal Pocket An abnormal extension of a gingival sulcus accompanied by the apical migration of the epithelial attachment and bone resorption.	2.05	1	0
Dental Plaque A film that attaches to teeth, often causing DENTAL CARIES and GINGIVITIS. It is composed of MUCINS, secreted from salivary glands, and microorganisms.	5.6	3	2
Acute Confusional Senile Dementia [description not available]	2.05	1	0
Alzheimer Disease A degenerative disease of the BRAIN characterized by the insidious onset of DEMENTIA. Impairment of MEMORY, judgment, attention span, and problem solving skills are followed by severe APRAXIAS and a global loss of cognitive abilities. The condition primarily occurs after age 60, and is marked pathologically by severe cortical atrophy and the triad of SENILE PLAQUES; NEUROFIBRILLARY TANGLES; and NEUROPIL THREADS. (From Adams et al., Principles of Neurology, 6th ed, pp1049-57)	2.05	1	0
Dentin, Secondary Dentin formed by normal pulp after completion of root end formation.	4.65	6	1
Nail Diseases Diseases of the nail plate and tissues surrounding it. The concept is limited to primates.	2.06	1	0
Sclerosis A pathological process consisting of hardening or fibrosis of an anatomical structure, often a vessel or a nerve.	3.44	1	1
Osteomyelitis INFLAMMATION of the bone as a result of infection. It may be caused by a variety of infectious agents, especially pyogenic (PUS - producing) BACTERIA.	2.06	1	0
Blood Poisoning [description not available]	2.06	1	0
Aspiration, Respiratory [description not available]	2.06	1	0
Cirrhosis [description not available]	2.06	1	0
Fibrosis Any pathological condition where fibrous connective tissue invades any organ, usually as a consequence of inflammation or other injury.	2.06	1	0
Sepsis Systemic inflammatory response syndrome with a proven or suspected infectious etiology. When sepsis is associated with organ dysfunction distant from the site of infection, it is called severe sepsis. When sepsis is accompanied by HYPOTENSION despite adequate fluid infusion, it is called SEPTIC SHOCK.	2.06	1	0
Swine Diseases Diseases of domestic swine and of the wild boar of the genus Sus.	2.07	1	0
Salmonella Infections, Animal Infections in animals with bacteria of the genus SALMONELLA.	2.07	1	0
Uremia A clinical syndrome associated with the retention of renal waste products or uremic toxins in the blood. It is usually the result of RENAL INSUFFICIENCY. Most uremic toxins are end products of protein or nitrogen CATABOLISM, such as UREA or CREATININE. Severe uremia can lead to multiple organ dysfunctions with a constellation of symptoms.	2.07	1	0
Calcification, Pathologic [description not available]	2.42	2	0
Calcinosis Pathologic deposition of calcium salts in tissues.	2.42	2	0
Tooth Diseases Diseases involving the TEETH.	2.07	1	0
Anodontia Congenital absence of the teeth; it may involve all (total anodontia) or only some of the teeth (partial anodontia, hypodontia), and both the deciduous and the permanent dentition, or only teeth of the permanent dentition. (Dorland, 27th ed)	2.07	1	0
Diastema An abnormal opening or fissure between two adjacent teeth.	2.48	2	0
Tooth Loss The failure to retain teeth as a result of disease or injury.	2.07	1	0
Jaw, Edentulous, Partially Absence of teeth from a portion of the mandible and/or maxilla.	4.15	3	1
Exposure, Dental Pulp [description not available]	3.47	1	1
Dental Pulp Exposure The result of pathological changes in the hard tissue of a tooth caused by carious lesions, mechanical factors, or trauma, which render the pulp susceptible to bacterial invasion from the external environment.	3.47	1	1
Nail Fungus [description not available]	2.01	1	0
Onychomycosis A fungal infection of the nail, usually caused by DERMATOPHYTES; YEASTS; or nondermatophyte MOLDS.	2.01	1	0
Anoxia-Ischemia, Brain [description not available]	2.01	1	0
Lactic Acidosis [description not available]	2.01	1	0
Acidosis, Lactic Acidosis caused by accumulation of lactic acid more rapidly than it can be metabolized. It may occur spontaneously or in association with diseases such as DIABETES MELLITUS; LEUKEMIA; or LIVER FAILURE.	2.01	1	0
Hypoxia-Ischemia, Brain A disorder characterized by a reduction of oxygen in the blood combined with reduced blood flow (ISCHEMIA) to the brain from a localized obstruction of a cerebral artery or from systemic hypoperfusion. Prolonged hypoxia-ischemia is associated with ISCHEMIC ATTACK, TRANSIENT; BRAIN INFARCTION; BRAIN EDEMA; COMA; and other conditions.	2.01	1	0
Leukocyte Disorders Disordered formation of various types of leukocytes or an abnormal accumulation or deficiency of these cells.	1.93	1	0
Leukocytopenia [description not available]	1.93	1	0
Leukopenia A decrease in the number of LEUKOCYTES in a blood sample below the normal range (LEUKOCYTE COUNT less than 4000).	6.93	1	0
Disease A definite pathologic process with a characteristic set of signs and symptoms. It may affect the whole body or any of its parts, and its etiology, pathology, and prognosis may be known or unknown.	2.62	3	0
Muscle Disorders [description not available]	2.62	3	0
Clostridium tetani Infection [description not available]	2.62	3	0
Muscular Diseases Acquired, familial, and congenital disorders of SKELETAL MUSCLE and SMOOTH MUSCLE.	2.62	3	0
Tetanus A disease caused by tetanospasmin, a powerful protein toxin produced by CLOSTRIDIUM TETANI. Tetanus usually occurs after an acute injury, such as a puncture wound or laceration. Generalized tetanus, the most common form, is characterized by tetanic muscular contractions and hyperreflexia. Localized tetanus presents itself as a mild condition with manifestations restricted to muscles near the wound. It may progress to the generalized form.	2.62	3	0
Deficiency, Protein [description not available]	1.93	1	0
Anemia A reduction in the number of circulating ERYTHROCYTES or in the quantity of HEMOGLOBIN.	1.93	1	0
Celiac Sprue [description not available]	1.93	1	0
Celiac Disease A malabsorption syndrome that is precipitated by the ingestion of foods containing GLUTEN, such as wheat, rye, and barley. It is characterized by INFLAMMATION of the SMALL INTESTINE, loss of MICROVILLI structure, failed INTESTINAL ABSORPTION, and MALNUTRITION.	1.93	1	0
Anoxemia [description not available]	1.93	1	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	1.93	1	0
Hyperthyroid [description not available]	1.93	1	0
Hyperthyroidism Hypersecretion of THYROID HORMONES from the THYROID GLAND. Elevated levels of thyroid hormones increase BASAL METABOLIC RATE.	1.93	1	0
Leucocythaemia [description not available]	1.93	1	0
Leukemia A progressive, malignant disease of the blood-forming organs, characterized by distorted proliferation and development of leukocytes and their precursors in the blood and bone marrow. Leukemias were originally termed acute or chronic based on life expectancy but now are classified according to cellular maturity. Acute leukemias consist of predominately immature cells; chronic leukemias are composed of more mature cells. (From The Merck Manual, 2006)	1.93	1	0
Lassitude [description not available]	1.93	1	0
Fatigue The state of weariness following a period of exertion, mental or physical, characterized by a decreased capacity for work and reduced efficiency to respond to stimuli.	6.93	1	0
Polyarthritis [description not available]	2.33	2	0
Rheumatoid Arthritis [description not available]	2.33	2	0
Arthritis Acute or chronic inflammation of JOINTS.	2.33	2	0
Arthritis, Rheumatoid A chronic systemic disease, primarily of the joints, marked by inflammatory changes in the synovial membranes and articular structures, widespread fibrinoid degeneration of the collagen fibers in mesenchymal tissues, and by atrophy and rarefaction of bony structures. Etiology is unknown, but autoimmune mechanisms have been implicated.	2.33	2	0
Shock, Traumatic Shock produced as a result of trauma.	1.93	1	0
Experimental Neoplasms [description not available]	2.62	3	0
Sarcoma, Epithelioid [description not available]	1.93	1	0
Sarcoma A connective tissue neoplasm formed by proliferation of mesodermal cells; it is usually highly malignant.	6.93	1	0
Deficiency, Magnesium [description not available]	1.93	1	0
Magnesium Deficiency A nutritional condition produced by a deficiency of magnesium in the diet, characterized by anorexia, nausea, vomiting, lethargy, and weakness. Symptoms are paresthesias, muscle cramps, irritability, decreased attention span, and mental confusion, possibly requiring months to appear. Deficiency of body magnesium can exist even when serum values are normal. In addition, magnesium deficiency may be organ-selective, since certain tissues become deficient before others. (Harrison's Principles of Internal Medicine, 12th ed, p1936)	1.93	1	0
Calculosis [description not available]	1.93	1	0
Urinary Calculi Low-density crystals or stones in any part of the URINARY TRACT. Their chemical compositions often include CALCIUM OXALATE, magnesium ammonium phosphate (struvite), CYSTINE, or URIC ACID.	4.27	4	1
Bone Marrow Diseases Diseases involving the BONE MARROW.	1.93	1	0
Injuries, Radiation [description not available]	1.93	1	0
Axonotmesis [description not available]	1.93	1	0
Trauma, Nervous System Traumatic injuries to the brain, cranial nerves, spinal cord, autonomic nervous system, or neuromuscular system, including iatrogenic injuries induced by surgical procedures.	1.93	1	0
Cat Diseases Diseases of the domestic cat (Felis catus or F. domesticus). This term does not include diseases of the so-called big cats such as CHEETAHS; LIONS; tigers, cougars, panthers, leopards, and other Felidae for which the heading CARNIVORA is used.	2.4	2	0
Pericementitis [description not available]	2.02	1	0
Periodontitis Inflammation and loss of connective tissues supporting or surrounding the teeth. This may involve any part of the PERIODONTIUM. Periodontitis is currently classified by disease progression (CHRONIC PERIODONTITIS; AGGRESSIVE PERIODONTITIS) instead of age of onset. (From 1999 International Workshop for a Classification of Periodontal Diseases and Conditions, American Academy of Periodontology)	2.02	1	0
Deficiency, Vitamin B [description not available]	1.92	1	0
Vitamin B Deficiency A condition due to deficiency in any member of the VITAMIN B COMPLEX. These B vitamins are water-soluble and must be obtained from the diet because they are easily lost in the urine. Unlike the lipid-soluble vitamins, they cannot be stored in the body fat.	1.92	1	0
Burns Injuries to tissues caused by contact with heat, steam, chemicals (BURNS, CHEMICAL), electricity (BURNS, ELECTRIC), or the like.	1.92	1	0
Carcinoma, Anaplastic [description not available]	1.92	1	0
Carcinoma A malignant neoplasm made up of epithelial cells tending to infiltrate the surrounding tissues and give rise to metastases. It is a histological type of neoplasm and not a synonym for cancer.	6.92	1	0
Bone Fractures [description not available]	3.74	2	1
Fractures, Bone Breaks in bones.	3.74	2	1
Apraxia [description not available]	1.93	1	0
Apraxias A group of cognitive disorders characterized by the inability to perform previously learned skills that cannot be attributed to deficits of motor or sensory function. The two major subtypes of this condition are ideomotor (see APRAXIA, IDEOMOTOR) and ideational apraxia, which refers to loss of the ability to mentally formulate the processes involved with performing an action. For example, dressing apraxia may result from an inability to mentally formulate the act of placing clothes on the body. Apraxias are generally associated with lesions of the dominant PARIETAL LOBE and supramarginal gyrus. (From Adams et al., Principles of Neurology, 6th ed, pp56-7)	1.93	1	0
Adhesions, Tissue [description not available]	2.7	3	0
Bleeding [description not available]	2.41	2	0
Hemorrhage Bleeding or escape of blood from a vessel.	2.41	2	0
Anemias, Iron-Deficiency [description not available]	2.03	1	0
Anemia, Iron-Deficiency Anemia characterized by decreased or absent iron stores, low serum iron concentration, low transferrin saturation, and low hemoglobin concentration or hematocrit value. The erythrocytes are hypochromic and microcytic and the iron binding capacity is increased.	2.03	1	0
Carcinoma, Ehrlich Tumor A transplantable, poorly differentiated malignant tumor which appeared originally as a spontaneous breast carcinoma in a mouse. It grows in both solid and ascitic forms.	2.39	2	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	2.71	3	0
Cancer of Skin [description not available]	2.04	1	0
Skin Neoplasms Tumors or cancer of the SKIN.	2.04	1	0
Grippe [description not available]	1.92	1	0
Influenza, Human An acute viral infection in humans involving the respiratory tract. It is marked by inflammation of the NASAL MUCOSA; the PHARYNX; and conjunctiva, and by headache and severe, often generalized, myalgia.	1.92	1	0
ANS (Autonomic Nervous System) Diseases [description not available]	1.92	1	0
Urinary Tract Diseases [description not available]	1.92	1	0
Urinary Incontinence Involuntary loss of URINE, such as leaking of urine. It is a symptom of various underlying pathological processes. Major types of incontinence include URINARY URGE INCONTINENCE and URINARY STRESS INCONTINENCE.	6.92	1	0
Verruca [description not available]	1.96	1	0
Warts Benign epidermal proliferations or tumors; some are viral in origin.	1.96	1	0
Mouth Diseases Diseases involving the MOUTH.	1.96	1	0
Ulcer A lesion on the surface of the skin or a mucous surface, produced by the sloughing of inflammatory necrotic tissue.	1.96	1	0
Dental Deposit [description not available]	1.96	1	0
Necrosis The death of cells in an organ or tissue due to disease, injury or failure of the blood supply.	2.38	2	0
Hemoglobinuria The presence of free HEMOGLOBIN in the URINE, indicating hemolysis of ERYTHROCYTES within the vascular system. After saturating the hemoglobin-binding proteins (HAPTOGLOBINS), free hemoglobin begins to appear in the urine.	1.98	1	0
Critical Illness A disease or state in which death is possible or imminent.	1.98	1	0
Alloxan Diabetes [description not available]	1.99	1	0
Acute Disease Disease having a short and relatively severe course.	1.99	1	0
Autolysis, Dental Pulp [description not available]	4.63	3	2
Inflammation, Endodontic [description not available]	5.95	5	2
Pulpitis Inflammation of the DENTAL PULP, usually due to bacterial infection in dental caries, tooth fracture, or other conditions causing exposure of the pulp to bacterial invasion. Chemical irritants, thermal factors, hyperemic changes, and other factors may also cause pulpitis.	5.95	5	2
Diseases, Occupational [description not available]	2.67	3	0
Airway Hyper-Responsiveness [description not available]	1.99	1	0
Symptom Cluster [description not available]	1.99	1	0
Syndrome A characteristic symptom complex.	6.99	1	0
Bronchial Hyperreactivity Tendency of the smooth muscle of the tracheobronchial tree to contract more intensely in response to a given stimulus than it does in the response seen in normal individuals. This condition is present in virtually all symptomatic patients with asthma. The most prominent manifestation of this smooth muscle contraction is a decrease in airway caliber that can be readily measured in the pulmonary function laboratory.	1.99	1	0
Bovine Diseases [description not available]	1.99	1	0
Dermatoses [description not available]	1.99	1	0
Skin Diseases Diseases involving the DERMIS or EPIDERMIS.	1.99	1	0
Foreign-Body Reaction Chronic inflammation and granuloma formation around irritating foreign bodies.	1.99	1	0
Cell Transformation, Neoplastic Cell changes manifested by escape from control mechanisms, increased growth potential, alterations in the cell surface, karyotypic abnormalities, morphological and biochemical deviations from the norm, and other attributes conferring the ability to invade, metastasize, and kill.	1.99	1	0
Cough A sudden, audible expulsion of air from the lungs through a partially closed glottis, preceded by inhalation. It is a protective response that serves to clear the trachea, bronchi, and/or lungs of irritants and secretions, or to prevent aspiration of foreign materials into the lungs.	3.38	1	1
Atrophy of Gingiva [description not available]	4.3	1	1
Graft Occlusion, Vascular Obstruction of flow in biological or prosthetic vascular grafts.	2.01	1	0
Diabetes Mellitus, Adult-Onset [description not available]	2.01	1	0
Diabetes Mellitus, Type 2 A subclass of DIABETES MELLITUS that is not INSULIN-responsive or dependent (NIDDM). It is characterized initially by INSULIN RESISTANCE and HYPERINSULINEMIA; and eventually by GLUCOSE INTOLERANCE; HYPERGLYCEMIA; and overt diabetes. Type II diabetes mellitus is no longer considered a disease exclusively found in adults. Patients seldom develop KETOSIS but often exhibit OBESITY.	2.01	1	0
Contact Dermatitis [description not available]	1.98	1	0
Eye Disorders [description not available]	1.98	1	0
Nervous System Disorders [description not available]	1.98	1	0
Dermatitis, Contact A type of acute or chronic skin reaction in which sensitivity is manifested by reactivity to materials or substances coming in contact with the skin. It may involve allergic or non-allergic mechanisms.	1.98	1	0
Eye Diseases Diseases affecting the eye.	1.98	1	0
Nervous System Diseases Diseases of the central and peripheral nervous system. This includes disorders of the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscle.	1.98	1	0
Ovine Diseases [description not available]	1.97	1	0
Dictyocauliasis [description not available]	1.97	1	0
Abnormalities, Autosome [description not available]	1.96	1	0
Acidosis, Renal Tubular, Type I [description not available]	2.88	1	0
Acidosis, Renal Tubular A group of genetic disorders of the KIDNEY TUBULES characterized by the accumulation of metabolically produced acids with elevated plasma chloride, hyperchloremic metabolic ACIDOSIS. Defective renal acidification of URINE (proximal tubules) or low renal acid excretion (distal tubules) can lead to complications such as HYPOKALEMIA, hypercalcinuria with NEPHROLITHIASIS and NEPHROCALCINOSIS, and RICKETS.	2.88	1	0
Central Nervous System Disease [description not available]	1.97	1	0
Central Nervous System Diseases Diseases of any component of the brain (including the cerebral hemispheres, diencephalon, brain stem, and cerebellum) or the spinal cord.	1.97	1	0
Phosphorus Metabolism Disorders Disorders in the processing of phosphorus in the body: its absorption, transport, storage, and utilization.	1.97	1	0

phosphoric acid

Description

Cross-References

Synonyms (159)

Research Excerpts

Effects

Actions

Treatment

Toxicity

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (2466 Product(s))

Product Categories

Products

Roles (5)

Drug Classes (1)

Pathways (233)

Protein Targets (12)

Potency Measurements

Inhibition Measurements

Biological Processes (129)

Molecular Functions (32)

Ceullar Components (24)

Bioassays (31)

Research

Studies (2,115)

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Research Demand Index: 97.65

Study Types

phosphoric acid

Description

Cross-References

Synonyms (159)

Research Excerpts

Effects

Actions

Treatment

Toxicity

Compound-Compound Interactions

Bioavailability

Dosage Studied

Occurs in Manufacturing (2466 Product(s))

Product Categories

Products

Roles (5)

Drug Classes (1)

Pathways (233)

Protein Targets (12)

Potency Measurements

Inhibition Measurements

Biological Processes (129)

Molecular Functions (32)

Ceullar Components (24)

Bioassays (31)

Research

Studies (2,115)

Market Indicators

Research Demand Index: 97.65

Study Types

Related Drugs (978)

Related Conditions (225)