potassium carbonate profile

Potassium carbonate (K2CO3), also known as potash, is a white, water-soluble salt. It is an inorganic compound that has a wide range of applications in industry and science. It is commonly produced by the reaction of potassium hydroxide (KOH) with carbon dioxide (CO2). Potassium carbonate is a strong base and can be used in various chemical reactions, such as saponification, which is the process of making soap. It also plays a role in glass manufacturing, where it lowers the melting point of the silica (SiO2). In the food industry, it is used as a food additive, acting as a leavening agent and pH regulator. The compound is studied for its potential applications in fields such as battery technology, where it is used as an electrolyte in solid-state batteries. '

potassium carbonate : A potassium salt that is the dipotassium salt of carbonic acid. [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]

ID Source	ID
PubMed CID	11430
CHEMBL ID	2105894
CHEBI ID	131526
SCHEMBL ID	852
MeSH ID	M0113634

Synonym
unii-bqn1b9b9ha
ec 209-529-3
carbonic acid, potassium salt (1:2)
potassium carbonate [usp]
bqn1b9b9ha ,
AKOS009031298
ck2o3
carbonic acid, dipotassium salt
dipotassium carbonate
carbonate of potash
potassium carbonate (2:1)
epa pesticide chemical code 073504
potassium carbonate (k2co3)
hsdb 1262
kalium carbonicum
potassium carbonate (k2(co3))
caswell no. 685
potassium carbonate, anhydrous
pearl ash
kaliumcarbonat [german]
ccris 7320
einecs 209-529-3
k-gran
salt of tartar
potassium carbonate
potassium carbonate, anhydrous, powder, 99.99% trace metals basis
potassium carbonate, meets usp testing specifications
potassium carbonate (jp17/usp)
584-08-7
racol (tn)
D02038
potassium carbonate, 99.995% trace metals basis
potassium carbonate, bioultra, anhydrous, >=99.0% (t)
CHEBI:131526 ,
kaliumcarbonat
k2co3
P1748
potassium carbonate,anhydrous powder 325 mesh
CHEMBL2105894
potassium carbonate - granular
FT-0689087
AKOS015903268
e-501(i)
kali carbonicum
ins no.501(i)
ins-501(i)
dcad plus
potassium carbonate-13c
potassium carbonate [jan]
potassium carbonate [who-dd]
potassium carbonate [mi]
potassium carbonate [ep monograph]
potassium carbonate [mart.]
potassium carbonate [usp-rs]
potassium carbonate [inci]
potassium carbonate [vandf]
potassium carbonate [usp monograph]
kali carbonicum [hpus]
potassium carbonate [ii]
potassium carbonate [hsdb]
SCHEMBL852
potassiumcarbonate
potassium carbonat
potassium potassium carbonate
potassium-carbonate
BWHMMNNQKKPAPP-UHFFFAOYSA-L
potassium carbonate-
potasiumcarbonate
potassium carbon- ate
potassium cabonate
potasium cabonate
potasium carbonate
potassium carbon ate
potassium carbon-ate
potassiumcarbonat
DTXSID2036245 ,
mfcd00011382
potassium carbonate, anhydrous, free-flowing, redi-dri(tm), acs reagent, >=99%
potassium carbonate, united states pharmacopeia (usp) reference standard
potassium carbonate, jis special grade, >=99.5%
potassium carbonate, reagentplus(r), 99%
potassium carbonate, reagent grade, >=98%, powder, -325 mesh
potassium carbonate, acs reagent, >=99.0%
potassium carbonate, saj first grade, >=99.5%
potassium carbonate, puriss. p.a., acs reagent, anhydrous, >=99.0% (t)
potassium carbonate, bioxtra, >=99.0%
potassium carbonate, p.a., acs reagent, 99.0%
potassium carbonate, vetec(tm) reagent grade, 98%
potassium carbonate, lr, >=99%
potassium carbonate, ar, >=99%
potassium carbonate, p.a., acs reagent, reag. iso, reag. ph. eur., 99.0%
potassium carbonate, anhydrous, free-flowing, -325 mesh, redi-dri(tm), reagent grade, >=98%
potassium carbonate, anhydrous, free-flowing, redi-dri(tm), reagentplus(r), 99%
potassium carbonate, granular, anhydrous trace metals grade, 99.99%
potassium carbonate granular, acs reagent
Q379885
DB13977
dipotassium;carbonate
potassium carbonate nanopowder
potassium carbonate (usp)
food-s
sanitalk comy-animal sanitizer(covid-19)
naro quinn
zeroq food
potassium carbonate (mart.)
sanitalk-sanitizer(covid-19)
moonstar hair mist
naro tiamo
potassium carbonate (anhydrous)
kali carbonicum 200c
zeroq pet
greenfish, cleaning-s
dtxcid0016245
cleaning-s
potassium carbonate (ep monograph)
naro como
zeroq
naro amor
potassium carbonate (usp-rs)
kali carb
kalium carbonicum 12 special order
potassium carbonate (usp monograph)
racol
usepa/opp pesticide code: 073504
kali carbonicum kit refill

Excerpt	Reference	Relevance
"The aim of this research was to determine if the attacks of green mold on orange could be reduced by edible salts alone or in combination with biocontrol agent."	( Evaluation of antifungal activity of carbonate and bicarbonate salts alone or in combination with biocontrol agents in control of citrus green mold. Ali Abadi, AA; Sharifi Tehrani, A; Zamani, M, 2007)	0.34
"Capsaicin was preparatively separated and purified from capsicum oleoresin with a new method combined with aqueous two-phase extraction (ATPE) and chromatography."	( Aqueous two-phase extraction combined with chromatography: new strategies for preparative separation and purification of capsaicin from capsicum oleoresin. Cui, B; Liang, Y; Lu, YM; Tan, CP; Zhao, PP, 2015)	0.42

Excerpt	Reference	Relevance
" Therefore, it is important to develop onboard carbon capture absorbent that can both ensure a high absorption rate and reduce the energy consumption of the desorption process."	( Experimental study on carbon capture characteristics of marine engine exhaust gas by activated potassium carbonate absorbent. Hao, Z; Lu, S; Ren, J; Shreka, M; Xi, H; Zhang, B; Zhou, S; Zhu, Y, 2023)	1.13

Excerpt	Relevance	Reference
" This study presents a simple enzymatic degradation and reduced activator dosage strategy to prepare a cottonseed meal derived carbon material and looks forward to preparing porous carbon using other biomass."	( Cottonseed meal derived porous carbon prepared via the protease pretreatment and reduced activator dosage carbonization for supercapacitor. Guo, J; Jia, D; Peng, L; Wang, T; Wu, D, 2023)	0.91

Item	Process	Frequency
Plant-based foods and beverages	core-ingredient	76
Plant-based foods	core-ingredient	73
Noodles	core-ingredient	66
Pastas	core-ingredient	65
Beverages	core-ingredient	59
Cereals and potatoes	core-ingredient	54
Cereals and their products	core-ingredient	52
Dried products	core-ingredient	45
Dried products to be rehydrated	core-ingredient	44
Instant noodles	core-ingredient	39
Frozen foods	core-ingredient	34
Snacks	core-ingredient	17
Meals	core-ingredient	11
Dairies	core-ingredient	10
Biscuits and cakes	core-ingredient	9
Sweet snacks	core-ingredient	9
Coffee drinks	core-ingredient	9
Soups	core-ingredient	9
Biscuits	core-ingredient	8
Dairy drinks	core-ingredient	8
Waters	core-ingredient	8
Dehydrated beverages	core-ingredient	8
Instant noodle soups	core-ingredient	7
Frozen desserts	core-ingredient	6
Desserts	core-ingredient	6
Plant-based beverages	core-ingredient	6
Plant-based milk alternatives	core-ingredient	6
Energy drinks	core-ingredient	5
Milk substitutes	core-ingredient	5
Dairy substitutes	core-ingredient	5
en:soups	core-ingredient	4
Coffee-drinks-with-milk	core-ingredient	4
en:instant-noodles	core-ingredient	4
Dried meals	core-ingredient	3
Cocoa powders	core-ingredient	3
Cocoa and chocolate powders	core-ingredient	3
Cocoa and its products	core-ingredient	3
Coffees	core-ingredient	2
Protein shakes	core-ingredient	2
Oat-based drinks	core-ingredient	2
Cereal-based drinks	core-ingredient	2
Breads	core-ingredient	2
Dehydrated Asian-style soup with noodles	core-ingredient	2
Dehydrated soups	core-ingredient	2
Chinese noodles	core-ingredient	2
Microwave meals	core-ingredient	2
Chocolate milks	core-ingredient	2
Flavoured milks	core-ingredient	2
Milks	core-ingredient	2
Comidas preparadas	core-ingredient	1
Coffee with milk with sugar	core-ingredient	1
to be rehydrated	core-ingredient	1
Pomegranate juices	core-ingredient	1
Fruit juices	core-ingredient	1
Juices and nectars	core-ingredient	1
Fruit-based beverages	core-ingredient	1
Unsweetened cocoa powder	core-ingredient	1
Baking ingredient	core-ingredient	1
Plant-based beverages & seasoning	core-ingredient	1
Organic-fairtrade-kosher	core-ingredient	1
en:coffee-drinks	core-ingredient	1
Beverages and beverages preparations	core-ingredient	1
Frozen ramen with chicken	core-ingredient	1
Groceries	core-ingredient	1
Sauces	core-ingredient	1
Condiments	core-ingredient	1
Yakisoba	core-ingredient	1
en:Instant noodle soups	core-ingredient	1
en:Instant noodles	core-ingredient	1
en:Noodles	core-ingredient	1
en:Dried products to be rehydrated	core-ingredient	1
en:Pastas	core-ingredient	1
en:Dried products	core-ingredient	1
en:Cereals and their products	core-ingredient	1
en:Cereals and potatoes	core-ingredient	1
en:Plant-based foods	core-ingredient	1
en:Plant-based foods and beverages	core-ingredient	1
Asian Foods	core-ingredient	1
Gingerbreads	core-ingredient	1
dessert	core-ingredient	1
Sodas	core-ingredient	1
Eaux	core-ingredient	1
Boissons gazeuses	core-ingredient	1
Boissons	core-ingredient	1
Boissons et préparations de boissons	core-ingredient	1
Energy jelly	core-ingredient	1
Frozen soups	core-ingredient	1
Frozen ready-made meals	core-ingredient	1
Sausages	core-ingredient	1
Prepared meats	core-ingredient	1
Meats	core-ingredient	1
Meats and their products	core-ingredient	1
Water Enhancer	core-ingredient	1
Ramen	core-ingredient	1
en:Süßer Snack	core-ingredient	1
en:Kekse und Kuchen	core-ingredient	1
en:Kekse	core-ingredient	1
en:Imbiss	core-ingredient	1
Speculoos	core-ingredient	1
Kekse	core-ingredient	1
Kekse und Kuchen	core-ingredient	1
Süßer Snack	core-ingredient	1
Imbiss	core-ingredient	1
Crackers	core-ingredient	1
Appetizers	core-ingredient	1
Salty snacks	core-ingredient	1
Oatcakes	core-ingredient	1
en:breads	core-ingredient	1
Crumpets	core-ingredient	1
Crumpet	core-ingredient	1
Cappuccino	core-ingredient	1
Instant Ramen	core-ingredient	1
en:cocoa-powders	core-ingredient	1
Cocoa powder for baking	core-ingredient	1
Malted milk powder tablets	core-ingredient	1
Plant-based meals	core-ingredient	1
Ready to eat combination meals	core-ingredient	1
Nouilles instantanées	core-ingredient	1
Nouilles	core-ingredient	1
Produits lyophilisés à reconstituer	core-ingredient	1
Pâtes alimentaires	core-ingredient	1
Produits déshydratés	core-ingredient	1
Céréales et dérivés	core-ingredient	1
Céréales et pommes de terre	core-ingredient	1
Aliments d'origine végétale	core-ingredient	1
Aliments et boissons à base de végétaux	core-ingredient	1
Instant	core-ingredient	1
Pasta dishes	core-ingredient	1
Unsweetened plain soy-based drinks	core-ingredient	1
Soy-based drinks	core-ingredient	1
Legume-based drinks	core-ingredient	1
Legumes and their products	core-ingredient	1
Low-lactose milk	core-ingredient	1
Frozen Calamari	core-ingredient	1
Calamari	core-ingredient	1
Mollusc	core-ingredient	1
Frozen seafood	core-ingredient	1
Fish fillets	core-ingredient	1
Fishes	core-ingredient	1
Seafood	core-ingredient	1
UHT Milks	core-ingredient	1
Homogenized milks	core-ingredient	1

Role	Description
catalyst	A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction.
fertilizer	A fertilizer is any substance that is added to soil or water to assist the growth of plants.
flame retardant	Any compound that is added to manufactured materials to inhibit, suppress, or delay the production of flames and so prevent the spread of fire.
[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
carbonate salt
potassium salt	Any alkali metal salt having potassium(1+) as the cation.
[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]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	17 (8.42)	18.7374
1990's	22 (10.89)	18.2507
2000's	58 (28.71)	29.6817
2010's	89 (44.06)	24.3611
2020's	16 (7.92)	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	5 (2.40%)	5.53%
Reviews	4 (1.92%)	6.00%
Case Studies	2 (0.96%)	4.05%
Observational	0 (0.00%)	0.25%
Other	197 (94.71%)	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
acetone methyl ketone : A ketone of formula RC(=O)CH3 (R =/= H).	1.97	1	0	ketone body; methyl ketone; propanones; volatile organic compound	EC 3.5.1.4 (amidase) inhibitor; human metabolite; polar aprotic solvent
ammonium hydroxide azane : Saturated acyclic nitrogen hydrides having the general formula NnHn+2.	5.56	5	1	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
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)	2.51	2	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.	1.97	1	0	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
carbamates [no description available]	2.45	2	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.	2.5	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
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).	2.74	3	0	alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound	bacterial metabolite; fossil fuel; greenhouse gas
choline [no description available]	3.27	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.	2.38	2	0	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.	3.82	3	0	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.	2.11	1	0	chlorine molecular entity; gas molecular entity; hydrogen halide; mononuclear parent hydride	mouse 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.	7.6	1	0	sulfoxide; volatile organic compound	alkylating agent; antidote; Escherichia coli metabolite; geroprotector; MRI contrast agent; non-narcotic analgesic; polar aprotic solvent; radical scavenger
formaldehyde paraform: polymerized formaldehyde; RN given refers to parent cpd; used in root canal therapy	1.97	1	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
glycine [no description available]	2.02	1	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.	2.46	2	0	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
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.	5.7	15	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.	2.06	1	0	elemental hydrogen; elemental molecule; gas molecular entity	antioxidant; electron donor; food packaging gas; fuel; human 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..	2.48	2	0	diatomic iodine	nutrient
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.	8.64	9	0	alkyl alcohol; one-carbon compound; primary alcohol; volatile organic compound	amphiprotic solvent; Escherichia coli metabolite; fuel; human metabolite; mouse metabolite; Mycoplasma genitalium metabolite
naphthalene [no description available]	2.05	1	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.	2.13	1	0	metal allergen; nickel group element atom	epitope; micronutrient
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)	2	1	0	monovalent inorganic anion; nitrogen oxoanion; reactive nitrogen species	human metabolite
triphosphoric acid triphosphoric acid: used as water softener, peptizing agent, emulsifier & dispersing agent; ingredient of cleansers; meat preservative; RN given refers to parent cpd; structure	2.21	1	0	acyclic phosphorus acid anhydride; phosphorus oxoacid
phenol [no description available]	2.05	1	0	phenols	antiseptic drug; disinfectant; human xenobiotic metabolite; mouse 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.	2.07	1	0	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
propionic acid propionic acid : A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.	3.11	1	0	saturated fatty acid; short-chain fatty acid	antifungal drug
pyrazole 1H-pyrazole : The 1H-tautomer of pyrazole.	2.25	1	0	pyrazole
pyridine azine : An organonitrogen compound of general structure RCH=N-N=CHR or RR'C=N-N=CRR'.	2.08	1	0	azaarene; mancude organic heteromonocyclic parent; monocyclic heteroarene; pyridines	environmental contaminant; NMR chemical shift reference compound
dithionite Dithionite: Dithionite. The dithionous acid ion and its salts.	2.03	1	0	sulfur oxide; sulfur oxoanion
toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups.	1.97	1	0	methylbenzene; toluenes; volatile organic compound	cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent
urea pseudourea: clinical use; structure. isourea : A carboximidic acid that is the imidic acid tautomer of urea, H2NC(=NH)OH, and its hydrocarbyl derivatives.	3.88	3	0	isourea; monocarboxylic acid amide; one-carbon compound	Daphnia magna metabolite; Escherichia coli metabolite; fertilizer; flour treatment agent; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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.	2.04	1	0	aminonaphthalene; naphthalenesulfonic acid	fluorescent probe
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.	2.48	2	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
alachlor alachlor : An aromatic amide that is N-(2,6-diethylphenyl)acetamide substituted by a methoxymethyl group at at the nitrogen atom while one of the hydrogens of the methyl group has been replaced by a chlorine atom.	2.03	1	0	aromatic amide; monocarboxylic acid amide; organochlorine compound	environmental contaminant; herbicide; xenobiotic
antipyrine Antipyrine: An analgesic and antipyretic that has been given by mouth and as ear drops. Antipyrine is often used in testing the effects of other drugs or diseases on drug-metabolizing enzymes in the liver. (From Martindale, The Extra Pharmacopoeia, 30th ed, p29). antipyrine : A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2.	3.27	1	0	pyrazolone	antipyretic; cyclooxygenase 3 inhibitor; environmental contaminant; non-narcotic analgesic; non-steroidal anti-inflammatory drug; xenobiotic
benzocaine Benzocaine: A surface anesthetic that acts by preventing transmission of impulses along NERVE FIBERS and at NERVE ENDINGS.. dextran sulfate sodium : An organic sodium salt of dextran sulfate. It induces colitis in mice.. benzocaine : A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.	3.27	1	0	benzoate ester; substituted aniline	allergen; antipruritic drug; sensitiser; topical anaesthetic
caffeine [no description available]	2.1	1	0	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
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.	2.48	2	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.	2.05	1	0	pyridinium ion
clofibrate angiokapsul: contains clofibrate & insoitolnicotinate	2.06	1	0	aromatic ether; ethyl ester; monochlorobenzenes	anticholesteremic drug; antilipemic drug; geroprotector; PPARalpha agonist
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.	1.97	1	0	primary amine
diazoxide Diazoxide: A benzothiadiazine derivative that is a peripheral vasodilator used for hypertensive emergencies. It lacks diuretic effect, apparently because it lacks a sulfonamide group.. diazoxide : A benzothiadiazine that is the S,S-dioxide of 2H-1,2,4-benzothiadiazine which is substituted at position 3 by a methyl group and at position 7 by chlorine. A peripheral vasodilator, it increases the concentration of glucose in the plasma and inhibits the secretion of insulin by the beta- cells of the pancreas. It is used orally in the management of intractable hypoglycaemia and intravenously in the management of hypertensive emergencies.	2.02	1	0	benzothiadiazine; organochlorine compound; sulfone	antihypertensive agent; beta-adrenergic agonist; bronchodilator agent; cardiotonic drug; diuretic; K-ATP channel agonist; sodium channel blocker; sympathomimetic agent; vasodilator agent
dicamba Dicamba: A chlorinated organic herbicide.. dicamba : A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.	2.6	1	0	dichlorobenzene; methoxybenzoic acid	agrochemical; environmental contaminant; herbicide; synthetic auxin; xenobiotic
famotidine Famotidine: A competitive histamine H2-receptor antagonist. Its main pharmacodynamic effect is the inhibition of gastric secretion.	2.06	1	0	1,3-thiazoles; guanidines; sulfonamide	anti-ulcer drug; H2-receptor antagonist; P450 inhibitor
ibuprofen Midol: combination of cinnamedrine, phenacetin, aspirin & caffeine	2.49	2	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
lithium hydroxide lithium hydroxide: used for tryptophan determinations in proteins & foods; RN given refers to cpd with MF of Li-OH	1.98	1	0	alkali metal hydroxide
pargyline Pargyline: A monoamine oxidase inhibitor with antihypertensive properties.	2.25	1	0	aromatic amine
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.	8.25	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.	2.08	1	0	potassium salt	expectorant; radical scavenger
sodium fluoride [no description available]	2.07	1	0	fluoride salt	mutagen
trazodone Trazodone: A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309). trazodone : An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group.	2.21	1	0	monochlorobenzenes; N-alkylpiperazine; N-arylpiperazine; triazolopyridine	adrenergic antagonist; antidepressant; anxiolytic drug; H1-receptor antagonist; sedative; serotonin uptake inhibitor
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.	2.07	1	0	inorganic chloride; zinc molecular entity	astringent; disinfectant; EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor; Lewis acid
sorbitol D-glucitol : The D-enantiomer of glucitol (also known as D-sorbitol).	2.01	1	0	glucitol	cathartic; Escherichia coli metabolite; food humectant; human metabolite; laxative; metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite; sweetening agent
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.	2.4	2	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
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.	2.03	1	0	pseudohalide anion	EC 1.9.3.1 (cytochrome c oxidase) inhibitor
chlorobutanol [no description available]	9.98	2	1	tertiary alcohol
sucrose Saccharum: A plant genus of the family POACEAE widely cultivated in the tropics for the sweet cane that is processed into sugar.	2.01	1	0	glycosyl glycoside	algal metabolite; Escherichia coli metabolite; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; sweetening agent
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.	2.47	2	0	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
aniline [no description available]	2.05	1	0	anilines; primary arylamine
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.	2.03	1	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.	3.14	5	0	formamides; volatile organic compound	geroprotector; hepatotoxic agent; polar aprotic solvent
cytarabine [no description available]	2.04	1	0	beta-D-arabinoside; monosaccharide derivative; pyrimidine nucleoside	antimetabolite; antineoplastic agent; antiviral agent; immunosuppressive agent
phenacyl bromide phenacyl bromide: structure. phenacyl bromide : An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.	2.04	1	0	acetophenones; alpha-bromoketone	metabolite
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.	8.64	1	1	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
methyl bromide methyl bromide: used in ionization chambers, degreasing wool, extracting oils; insect fumigant; high concentrations can produce pulmonary edema,narcosis; chronic exposure can cause CNS depression,kidney injury; RN given refers to parent cpd; structure. bromomethane : A one-carbon compound in which the carbon is attached by single bonds to three hydrogen atoms and one bromine atom. It is produced naturally by marine algae.	2.05	1	0	bromohydrocarbon; bromomethanes; methyl halides	algal metabolite; fumigant insecticide; marine metabolite
nitromethane nitromethane: structure. nitromethane : A primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 degreeC), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models.	2.02	1	0	primary nitroalkane; volatile organic compound	EC 4.3.1.3 (histidine ammonia-lyase) inhibitor; explosive; NMR chemical shift reference compound; polar aprotic solvent
tert-butylhydroperoxide tert-Butylhydroperoxide: A direct-acting oxidative stress-inducing agent used to examine the effects of oxidant stress on Ca(2+)-dependent signal transduction in vascular endothelial cells. It is also used as a catalyst in polymerization reactions and to introduce peroxy groups into organic molecules.. tert-butyl hydroperoxide : An alkyl hydroperoxide in which the alkyl group is tert-butyl. It is widely used in a variety of oxidation processes.	2.02	1	0	alkyl hydroperoxide	antibacterial agent; oxidising agent
linalool linalool: RN given refers to parent cpd without isomeric designation; structure. linalool : A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum.	3.11	1	0	monoterpenoid; tertiary alcohol	antimicrobial agent; fragrance; plant metabolite; volatile oil component
isobutyl alcohol isobutyl alcohol: RN given refers to parent cpd	1.97	1	0	alkyl alcohol; primary alcohol	Saccharomyces cerevisiae 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.	2.05	1	0	bisphenol	endocrine disruptor; environmental contaminant; xenobiotic; xenoestrogen
n-vinyl-2-pyrrolidinone N-vinyl-2-pyrrolidinone: monomer of POVIDONE; structure given in first source	2.04	1	0	pyrrolidin-2-ones
quinuclidines Quinuclidines: A class of organic compounds which contain two rings that share a pair of bridgehead carbon atoms and contains an amine group.	2.17	1	0	quinuclidines; saturated organic heterobicyclic parent
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.	3.27	1	0	amino alcohol; tertiary amino compound; triol	buffer; surfactant
boric acid [no description available]	2.03	1	0	boric acids	astringent
propargyl bromide propargyl bromide: structure in first source	2.25	1	0
acetic anhydride acetic anhydride: RN given refers to unlabeled cpd; structure. acetic anhydride : An acyclic carboxylic anhydride derived from acetic acid.	2.05	1	0	acyclic carboxylic anhydride	metabolite; reagent
succinic anhydride [no description available]	7.6	1	0	cyclic dicarboxylic anhydride; tetrahydrofurandione
thiophenol thiophenol : A thiol in which the sulfanyl group is attached to a phenyl group.	2.04	1	0	aryl thiol
dicyanmethane malononitrile : A dinitrile that is methane substituted by two cyano groups.	2.02	1	0	aliphatic nitrile; dinitrile
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.	2.46	2	0	pyrrole; secondary amine
diethanolamine diethanolamine: RN given refers to parent cpd. diethanolamine : A member of the class of ethanolamines that is ethanolamine having a N-hydroxyethyl substituent.	2.46	2	0	ethanolamines	human xenobiotic metabolite
ethyl acetate ethyl acetate : The acetate ester formed between acetic acid and ethanol.	1.97	1	0	acetate ester; ethyl ester; volatile organic compound	EC 3.4.19.3 (pyroglutamyl-peptidase I) inhibitor; metabolite; polar aprotic solvent; Saccharomyces cerevisiae metabolite
indazoles Indazoles: A group of heterocyclic aromatic organic compounds consisting of the fusion of BENZENE and PYRAZOLES.	2.03	1	0	indazole
benzofuran benzofuran: RN & structure given in first source. 1-benzofuran : A benzofuran consisting of fused benzene and furan rings. It is the parent compound of the class of 1-benzofurans.	2.17	1	0	1-benzofurans; benzofuran
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.	2.1	1	0	diazine; pyrazines	Daphnia magna metabolite
calcium gluconate [no description available]	2.06	1	0	calcium salt	nutraceutical
hydrazine diamine : Any polyamine that contains two amino groups.	2.47	2	0	azane; hydrazines	EC 4.3.1.10 (serine-sulfate ammonia-lyase) inhibitor
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.	2.99	4	0	calcium salt; carbonate salt; inorganic calcium salt; one-carbon compound	antacid; fertilizer; food colouring; food firming agent
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	4.12	15	0	carbonate salt; organic sodium salt
barium carbonate barium carbonate : An inorganic carbonate salt of barium.	2.06	1	0	carbonate salt; inorganic barium salt
magadi soda Magadi soda: abundant salt in East African countries used in treatment of high- & low-tannin grain sorghums to reduce assayable tannins & improve nutritive value of grains; sodium sesquicarbonate salt (MF= Na2CO3NaHCO3.H2O); RN given refers to Na salt[2:3]	2.11	1	0
cesium carbonate [no description available]	2.06	1	0
methamphetamine Methamphetamine: A central nervous system stimulant and sympathomimetic with actions and uses similar to DEXTROAMPHETAMINE. The smokable form is a drug of abuse and is referred to as crank, crystal, crystal meth, ice, and speed.. methamphetamine : A member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent.	1.97	1	0	amphetamines; secondary amine	central nervous system stimulant; environmental contaminant; neurotoxin; psychotropic drug; xenobiotic
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.	2.08	1	0	dialdehyde	biomarker
hematoporphyrin Hematoporphyrins: Iron-free derivatives of heme with 4 methyl groups, 2 hydroxyethyl groups and 2 propionic acid groups attached to the pyrrole rings. Some of these PHOTOSENSITIZING AGENTS are used in the PHOTOTHERAPY of malignant NEOPLASMS.. hematoporphyrin : A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.	2.21	1	0
lithium carbonate Lithium Carbonate: A lithium salt, classified as a mood-stabilizing agent. Lithium ion alters the metabolism of BIOGENIC MONOAMINES in the CENTRAL NERVOUS SYSTEM, and affects multiple neurotransmission systems.	2.25	1	0	carbonate salt; lithium salt	antimanic drug
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.	2.04	1	0	organic chloride salt	antibacterial agent; antifungal drug; carcinogenic agent; environmental contaminant; fluorochrome; histological dye; teratogenic agent
docusate Dioctyl Sulfosuccinic Acid: All-purpose surfactant, wetting agent, and solubilizer used in the drug, cosmetics, and food industries. It has also been used in laxatives and as cerumenolytics. It is usually administered as either the calcium, potassium, or sodium salt.	3.27	1	0	diester; organosulfonic acid
methyl carbonate methyl carbonate: RN given refers to unlabeled parent cpd; structure. dimethyl carbonate : A carbonate ester that is carbonic acid in which both hydrogens are replaced by methyl groups. A flammable, colourless liquid (m.p. 2-4degreeC, b.p. 90degreeC) with a characterstic ester-like odour, it is used as a 'green' methylating agent and as a solvent.	2.43	2	0	carbonate ester	reagent; solvent
acetylcysteine N-acetyl-L-cysteine : An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine.	2.04	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
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.	2.04	1	0
diethyl chlorophosphate diethylchlorophosphate: structure in first source	2.08	1	0
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
potassium hydroxide potassium hydroxide: RN given refers to cpd with MF of K-OH	8.51	8	0	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)	2.47	2	0	alkali metal hydroxide
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.	7.06	1	0	zinc molecular entity
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.	2.05	1	0	inorganic hydroxy compound	food acidity regulator
tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd	2.78	3	0	quaternary ammonium ion
dronabinol Dronabinol: A psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing characteristic mood and perceptual changes associated with this compound.. Delta(9)-tetrahydrocannabinol : A diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position 3 by a pentyl group. The principal psychoactive constituent of the cannabis plant, it is used for treatment of anorexia associated with AIDS as well as nausea and vomiting associated with cancer chemotherapy.	2	1	0	benzochromene; diterpenoid; phytocannabinoid; polyketide	cannabinoid receptor agonist; epitope; hallucinogen; metabolite; non-narcotic analgesic
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.	11.59	196	5	carbon oxoanion
butylhydroxybutylnitrosamine Butylhydroxybutylnitrosamine: A substituted carcinogenic nitrosamine.. N-butyl-N-(4-hydroxybutyl)nitrosamine : A nitrosamine that has butyl and 4-hydroxybutyl substituents. In mice, it causes high-grade, invasive cancers in the urinary bladder, but not in any other tissues.	3.06	1	0	nitrosamine; primary alcohol	carcinogenic agent
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.	2.13	1	0	elemental manganese; manganese group element atom	Escherichia coli metabolite; micronutrient
niobium Niobium: A metal element atomic number 41, atomic weight 92.906, symbol Nb.	2.49	2	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.	3.19	5	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.	2.1	1	0	elemental platinum; nickel group element atom; platinum group metal 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.	2.45	2	0	cobalt group element 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.	2.06	1	0	titanium group element 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.	2.03	1	0	chromium group element atom; metal allergen	micronutrient
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.	2.03	1	0	copper group element atom; elemental gold
zirconium Zirconium: A rather rare metallic element with atomic number 40, atomic weight 91.224, and symbol Zr.	2.48	2	0	titanium group element atom
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.	2.75	3	0	copper molecular entity; inorganic chloride	EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor
sodium sulfate [no description available]	2.07	1	0	inorganic sodium salt
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.	2.07	1	0	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.	2.06	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.	2.05	1	0	metal sulfate	emetic; fertilizer; sensitiser
potassium sulfate potassium sulfate: RN given refers to cpd with MF of K2-H2SO4	2.03	1	0	inorganic potassium salt; potassium salt
chlorine Chlorine: An element with atomic symbol Cl, atomic number 17, and atomic weight 35, and member of the halogen family.	2.03	1	0	diatomic chlorine; gas molecular entity	bleaching agent
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.	7.37	2	0	ammonium salt; inorganic chloride	ferroptosis inhibitor
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.	2.06	1	0	titanium oxides	food colouring
chromium chromium hexavalent ion: a human respiratory carcinogen	2.03	1	0	chromium cation; monoatomic hexacation
iodine [no description available]	2.46	2	0	halide anion; monoatomic iodine	human metabolite
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.	3.1	5	0	benzenes; phenyl acetates
acetylacetone acetylacetone : A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups.	2.02	1	0	beta-diketone
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.	3.27	1	0	mixture	disinfectant; oxidising agent; reagent
alkenes [no description available]	2.72	3	0
ribavirin Rebetron: Rebetron is tradename	2.04	1	0	1-ribosyltriazole; aromatic amide; monocarboxylic acid amide; primary carboxamide	anticoronaviral agent; antiinfective agent; antimetabolite; antiviral agent; EC 2.7.7.49 (RNA-directed DNA polymerase) inhibitor
nitroacetic acid nitroacetic acid: inhibits succinate dehydrogenase; RN given refers to parent cpd	2.02	1	0
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.	2.39	2	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
cyclen cyclen: macrocyclic polyamine metal-complexing agent. 1,4,7,10-tetraazacyclododecane : An azacycloalkane that is cyclododecane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogen atoms.	2.08	1	0	azacycloalkane; crown amine; saturated organic heteromonocyclic parent
metaperiodate Periodic Acid: A strong oxidizing agent.	2	1	0	iodine oxoacid
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.	2.06	1	0	1,2,3-triazole
stearyltrimethylammonium bromide octadecyltrimethylammonium bromide: structure in first source	2.05	1	0
n,n'-dibutylurea N,N'-dibutylurea: structure in first source	2.02	1	0
trimethylsilyl cyanide [no description available]	2.03	1	0
dicyclohexyl-18-crown-6 [no description available]	2.41	1	0
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.	2.11	1	0	D-glucuronic acid	algal metabolite
1,3,4-oxadiazole 1,3,4-oxadiazole: structure in first source	2.11	1	0
n-acetyldehydroalanine methyl ester N-acetyldehydroalanine methyl ester: modifies amino & sulfhydryl groups in amino acids & proteins; structure	2.04	1	0
chlorates Chlorates: Inorganic salts of chloric acid that contain the ClO3- ion.	2.41	1	0	chlorine oxoanion; monovalent inorganic anion
calcium phosphate, dibasic, dihydrate calcium phosphate, dibasic, dihydrate: Molecular formula CaHPO(4)-2(H2O)	2.07	1	0	calcium salt; hydrate
niobium pentoxide [no description available]	2.49	2	0
2-chloro-n-(ethoxymethyl)-n-(2-methyl-6-(trifluoromethyl)phenyl)acetamide 2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-(trifluoromethyl)phenyl)acetamide: structure given in first source	2.03	1	0
metaperiodate metaperiodate: RN given refers to periodic acid, Na salt; structure. periodate : A monovalent inorganic anion obtained by deprotonation of periodic acid.	2	1	0	iodine oxoanion; monovalent inorganic anion
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.	3.14	5	0
4-methoxyphenylboronic acid 4-methoxyphenylboronic acid: structure in first source	2.25	1	0
benzofurans Benzofurans: Compounds that contain a BENZENE ring fused to a furan ring.	2.51	2	0
potassium bromide potassium bromide : A metal bromide salt with a K(+) counterion.	2.31	1	0	potassium salt
lithium chloride Lithium Chloride: A salt of lithium that has been used experimentally as an immunomodulator.. lithium chloride : A metal chloride salt with a Li(+) counterion.	2.03	1	0	inorganic chloride; lithium salt	antimanic drug; geroprotector
inositol 1,4,5-trisphosphate Inositol 1,4,5-Trisphosphate: Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell's endoplasmic reticulum. These calcium ions stimulate the activity of B kinase or calmodulin.	1.99	1	0	myo-inositol trisphosphate	mouse metabolite
monensin Monensin: An antiprotozoal agent produced by Streptomyces cinnamonensis. It exerts its effect during the development of first-generation trophozoites into first-generation schizonts within the intestinal epithelial cells. It does not interfere with hosts' development of acquired immunity to the majority of coccidial species. Monensin is a sodium and proton selective ionophore and is widely used as such in biochemical studies.. monensin A : A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle.	1.96	1	0	cyclic hemiketal; monocarboxylic acid; polyether antibiotic; spiroketal	antifungal agent; coccidiostat; ionophore
ochratoxin a ochratoxin A: structure in first source & in Merck, 9th ed, #6549. ochratoxin A : A phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid (ochratoxin alpha). It is among the most widely occurring food-contaminating mycotoxins, produced by Aspergillus ochraceus, Aspergillus carbonarius and Penicillium verrucosum.	2.04	1	0	isochromanes; monocarboxylic acid amide; N-acyl-L-phenylalanine; organochlorine compound; phenylalanine derivative	Aspergillus metabolite; calcium channel blocker; carcinogenic agent; mycotoxin; nephrotoxin; Penicillium metabolite; teratogenic agent
lignans Lignans: A class of dibenzylbutane derivatives which occurs in higher plants and in fluids (bile, serum, urine, etc.) in man and other animals. These compounds, which have a potential anti-cancer role, can be synthesized in vitro by human fecal flora. (From Singleton & Sainsbury, Dictionary of Microbiology and Molecular Biology, 2d ed)	2.15	1	0
betadex beta-Cyclodextrins: Cyclic GLUCANS consisting of seven (7) glucopyranose units linked by 1,4-glycosidic bonds.	2.47	2	0	cyclodextrin
melphalan Melphalan: An alkylating nitrogen mustard that is used as an antineoplastic in the form of the levo isomer - MELPHALAN, the racemic mixture - MERPHALAN, and the dextro isomer - MEDPHALAN; toxic to bone marrow, but little vesicant action; potential carcinogen.. melphalan : A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.	2.1	1	0	L-phenylalanine derivative; nitrogen mustard; non-proteinogenic L-alpha-amino acid; organochlorine compound	alkylating agent; antineoplastic agent; carcinogenic agent; drug allergen; immunosuppressive agent
potassium thiocyanate potassium thiocyanate: RN given refers to cpd with MF of K-CHNS. potassium thiocyanate : A potassium salt which is the monopotassium salt of thiocyanic acid.	2.31	1	0	potassium salt
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.	11.6	9	1	one-carbon compound; organic sodium salt	antacid; food anticaking agent
potassium bicarbonate potassium hydrogencarbonate : A potassium salt that is the monopotassium salt of carbonic acid. It has fungicidal properties and is used in organic farming for the control of powdery mildew and apple scab.	3.17	5	0	organic salt; potassium salt	antifungal agrochemical; buffer; food acidity regulator; raising agent
potassium nitrite [no description available]	2	1	0
potassium acetate Potassium Acetate: A potassium salt used to replenish ELECTROLYTES, for restoration of WATER-ELECTROLYTE BALANCE, as well as a urinary and systemic alkalizer, which can be administered orally or by intravenous infusion. Formerly, it was used in DIURETICS and EXPECTORANTS.. potassium acetate : A potassium salt comprising equal numbers of potassium and acetate ions	2.82	2	0	potassium salt	food acidity regulator
chalcone trans-chalcone : The trans-isomer of chalcone.	2.11	1	0	chalcone	EC 3.2.1.1 (alpha-amylase) inhibitor
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.	2.11	1	0	capsaicinoid	non-narcotic analgesic; TRPV1 agonist; voltage-gated sodium channel blocker
1,1-diphenyl-2-picrylhydrazyl 1,1-diphenyl-2-picrylhydrazyl: A diphenyl picrate; the ability to decolorize this stable radical indicates reactivity of tested compounds (Banda, Anal Chem 46:1772-7 1974)	2.05	1	0
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.	2.13	1	0	alkali metal atom
cystine [no description available]	2.03	1	0
lithium acetate lithium acetate : An acetate salt comprising equal numbers of acetate and lithium ions.	2.13	1	0	acetate salt; organic lithium salt
beta carotene beta Carotene: A carotenoid that is a precursor of VITAMIN A. Beta carotene is administered to reduce the severity of photosensitivity reactions in patients with erythropoietic protoporphyria (PORPHYRIA, ERYTHROPOIETIC).. provitamin A : A provitamin that can be converted into vitamin A by enzymes from animal tissues.	2.05	1	0	carotenoid beta-end derivative; cyclic carotene	antioxidant; biological pigment; cofactor; ferroptosis inhibitor; human metabolite; mouse metabolite; plant metabolite; provitamin A
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.	2.06	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.	2.06	1	0	alkaline earth metal atom; elemental barium
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.	2.52	2	0	chalcogen; nonmetal atom	macronutrient
fumarates Fumarates: Compounds based on fumaric acid.. fumarate(2-) : A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-)	2.04	1	0	butenedioate; C4-dicarboxylate	human metabolite; metabolite; Saccharomyces cerevisiae metabolite
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.	2.4	2	0	cysteinium	fundamental metabolite
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.	2.1	1	0	monoatomic phosphorus; nonmetal atom; pnictogen	macronutrient
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.	2.01	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.	2.4	2	0	ammonium salt; inorganic sulfate salt	fertilizer
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.	2.13	1	0	chalcogen; nonmetal atom	micronutrient
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.	2.06	1	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.	2.02	1	0
tris(dibenzylideneacetone)dipalladium tris(dibenzylideneacetone)dipalladium: N-myristoyltransferase-1 inhibitor that is effective against melanoma growth in vitro and in vivo	2.05	1	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.	2.78	3	0
cystathionine Cystathionine: Sulfur-containing amino acid formed as an intermediate in the conversion of METHIONINE to CYSTEINE.. cystathionine : A modified amino acid generated by enzymic means from homocysteine and serine.	2.03	1	0	cysteine derivative
oxadiazoles Oxadiazoles: Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.	2.49	2	0
gsk573719 GSK573719: Muscarinic Antagonist. umeclidinium : A quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively.	2.17	1	0
glucagon Glucagon: A 29-amino acid pancreatic peptide derived from proglucagon which is also the precursor of intestinal GLUCAGON-LIKE PEPTIDES. Glucagon is secreted by PANCREATIC ALPHA CELLS and plays an important role in regulation of BLOOD GLUCOSE concentration, ketone metabolism, and several other biochemical and physiological processes. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p1511). glucagon : A 29-amino acid peptide hormone consisting of His, Ser, Gln, Gly, Thr, Phe, Thr, Ser, Asp, Tyr, Ser, Lys, Tyr, Leu, Asp, Ser, Arg, Arg, Ala, Gln, Asp, Phe, Val, Gln, Trp, Leu, Met, Asn and Thr residues joined in sequence.	2.02	1	0	peptide hormone
oligonucleotides [no description available]	2	1	0
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	7.59	2	0	glycoside
perovskite calcium titanate : A calcium salt with the formula CaTiO3, generally obtained in the form of the mineral perovskite.	2.06	1	0
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.	2.08	1	0	chlorophyll; methyl ester	cofactor
lithium borohydride [no description available]	1.98	1	0
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.	1.97	1	0	inorganic sodium salt	bleaching agent; disinfectant
mannans [no description available]	2.17	1	0
inositol 1,3,4-trisphosphate 1D-myo-inositol 1,3,4-trisphosphate(6-) : The hexaanion of 1D-myo-inositol 1,3,4-trisphosphate.	1.99	1	0	inositol phosphate oxoanion	human metabolite
glycolipids [no description available]	2.03	1	0
piperidines Piperidines: A family of hexahydropyridines.	2.08	1	0
11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid 11-nor-delta(9)-tetrahydrocannabinol-9-carboxylic acid: RN given refers to cpd without isomeric designation; a major acidic metabolite of tetrahydrocannabinol in human urine	2	1	0	1-benzopyran
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.	3.76	3	0	ascorbic acid; vitamin C	coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent
salicylates Salicylates: The salts or esters of salicylic acids, or salicylate esters of an organic acid. Some of these have analgesic, antipyretic, and anti-inflammatory activities by inhibiting prostaglandin synthesis.. hydroxybenzoate : Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.. salicylates : Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid.. salicylate : A monohydroxybenzoate that is the conjugate base of salicylic acid.	3.27	1	0	monohydroxybenzoate	plant metabolite
choline salicylate choline salicylate: exists as gel or solution	3.27	1	0	hydroxybenzoic acid
feldspar feldspar: structure	2.04	1	0
deoxyguanosine [no description available]	2.02	1	0	purine 2'-deoxyribonucleoside; purines 2'-deoxy-D-ribonucleoside	Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae 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.	2.25	1	0	folic acids; N-acyl-amino acid	human metabolite; mouse metabolite; nutrient
nn 414 NN 414: a hypoglycemic agent with insulin release modulating and potassium channel activating activities; structure in first source	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.	2.07	1	0
pyrimidinones Pyrimidinones: Heterocyclic compounds known as 2-pyrimidones (or 2-hydroxypyrimidines) and 4-pyrimidones (or 4-hydroxypyrimidines) with the general formula C4H4N2O.	2.46	2	0

Condition	Relationship Strength	Studies	Trials
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)	3.63	3	0
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)	2.21	1	0
Burns, Chemical Burns caused by contact with or exposure to CAUSTICS or strong ACIDS.	2.42	2	0
Deafness, Transitory [description not available]	3.43	1	1
Hearing Loss A general term for the complete or partial loss of the ability to hear from one or both ears.	3.43	1	1
Deficiency Diseases A condition produced by dietary or metabolic deficiency. The term includes all diseases caused by an insufficient supply of essential nutrients, i.e., protein (or amino acids), vitamins, and minerals. It also includes an inadequacy of calories. (From Dorland, 27th ed; Stedman, 25th ed)	2.07	1	0
Disease Models, Animal Naturally-occurring or experimentally-induced animal diseases with pathological processes analogous to human diseases.	2.07	1	0
Age-Related Osteoporosis [description not available]	3.83	2	1
Alveolar Bone Atrophy [description not available]	2.07	1	0
Mandibular Diseases Diseases involving the MANDIBLE.	2.07	1	0
Osteoporosis Reduction of bone mass without alteration in the composition of bone, leading to fractures. Primary osteoporosis can be of two major types: postmenopausal osteoporosis (OSTEOPOROSIS, POSTMENOPAUSAL) and age-related or senile osteoporosis.	3.83	2	1
Metabolic Acidosis [description not available]	3.4	1	1
Bone Loss, Osteoclastic [description not available]	3.4	1	1
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.	3.4	1	1
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.	2.01	1	0
Silicosis A form of pneumoconiosis resulting from inhalation of dust containing crystalline form of SILICON DIOXIDE, usually in the form of quartz. Amorphous silica is relatively nontoxic.	2.35	2	0
Fasting Hypoglycemia HYPOGLYCEMIA expressed in the postabsorptive state, after prolonged FASTING, or an overnight fast.	2.02	1	0
Hypoglycemia A syndrome of abnormally low BLOOD GLUCOSE level. Clinical hypoglycemia has diverse etiologies. Severe hypoglycemia eventually lead to glucose deprivation of the CENTRAL NERVOUS SYSTEM resulting in HUNGER; SWEATING; PARESTHESIA; impaired mental function; SEIZURES; COMA; and even DEATH.	2.02	1	0
Weight Gain Increase in BODY WEIGHT over existing weight.	2.42	2	0
Body Weight The mass or quantity of heaviness of an individual. It is expressed by units of pounds or kilograms.	3.07	5	0
Acidosis, Renal Tubular, Type I [description not available]	2.9	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.	2.9	1	0
Gastric Outlet Obstruction The hindering of output from the STOMACH into the SMALL INTESTINE. This obstruction may be of mechanical or functional origin such as EDEMA from PEPTIC ULCER; NEOPLASMS; FOREIGN BODIES; or AGING.	1.99	1	0
Complications, Pregnancy [description not available]	1.99	1	0
Breathing Sounds [description not available]	1.99	1	0
Pregnancy The status during which female mammals carry their developing young (EMBRYOS or FETUSES) in utero before birth, beginning from FERTILIZATION to BIRTH.	2.67	3	0
Respiratory Sounds Noises, normal and abnormal, heard on auscultation over any part of the RESPIRATORY TRACT.	1.99	1	0
Cannabis Abuse [description not available]	2	1	0
Marijuana Abuse Use of marijuana associated with abnormal psychological, social, and or occupational functioning.	2	1	0
Cardiac Failure [description not available]	2	1	0
Heart Disease, Ischemic [description not available]	2	1	0
Heart Failure A heterogeneous condition in which the heart is unable to pump out sufficient blood to meet the metabolic need of the body. Heart failure can be caused by structural defects, functional abnormalities (VENTRICULAR DYSFUNCTION), or a sudden overload beyond its capacity. Chronic heart failure is more common than acute heart failure which results from sudden insult to cardiac function, such as MYOCARDIAL INFARCTION.	2	1	0
Myocardial Ischemia A disorder of cardiac function caused by insufficient blood flow to the muscle tissue of the heart. The decreased blood flow may be due to narrowing of the coronary arteries (CORONARY ARTERY DISEASE), to obstruction by a thrombus (CORONARY THROMBOSIS), or less commonly, to diffuse narrowing of arterioles and other small vessels within the heart. Severe interruption of the blood supply to the myocardial tissue may result in necrosis of cardiac muscle (MYOCARDIAL INFARCTION).	2	1	0
Bladder Cancer [description not available]	3.29	2	0
Carcinoma, Anaplastic [description not available]	1.97	1	0
Papilloma, Squamous Cell [description not available]	1.97	1	0
Urinary Bladder Neoplasms Tumors or cancer of the URINARY BLADDER.	3.29	2	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.	1.97	1	0
Hyperplasia An increase in the number of cells in a tissue or organ without tumor formation. It differs from HYPERTROPHY, which is an increase in bulk without an increase in the number of cells.	2.38	2	0
Papilloma A circumscribed benign epithelial tumor projecting from the surrounding surface; more precisely, a benign epithelial neoplasm consisting of villous or arborescent outgrowths of fibrovascular stroma covered by neoplastic cells. (Stedman, 25th ed)	1.97	1	0
Anoxemia [description not available]	1.97	1	0
Hypercapnia A clinical manifestation of abnormal increase in the amount of carbon dioxide in arterial blood.	1.97	1	0
Hypoxia Sub-optimal OXYGEN levels in the ambient air of living organisms.	1.97	1	0
Chemical Dependence [description not available]	1.97	1	0
Substance-Related Disorders Disorders related to substance use or abuse.	1.97	1	0
Water-Electrolyte Imbalance Disturbances in the body's WATER-ELECTROLYTE BALANCE.	1.97	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.	1.97	1	0
Cystinuria An inherited disorder due to defective reabsorption of CYSTINE and other BASIC AMINO ACIDS by the PROXIMAL RENAL TUBULES. This form of aminoaciduria is characterized by the abnormally high urinary levels of cystine; LYSINE; ARGININE; and ORNITHINE. Mutations involve the amino acid transport protein gene SLC3A1.	1.97	1	0

potassium carbonate

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