anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O[C@H](C(O)=O)[C@@](C)(O)[C@@H]2OC(N)=O)OP(O)(=O)OC[C@@H](OC\C=C(/C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O C[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]2[C@H](O[C@H](C(O)=O)[C@@](C)(O)[C@@H]2OC(N)=O)OP(O)(=O)OC[C@@H](OC\C=C(/C)CC\C=C\C(C)(C)CCC(=C)C\C=C(/C)CCC=C(C)C)C(O)=O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(=O)NC1=C(O)CCC1=O is A glycophospholipid antibiotic compound with the lipid portion conjugated to a pentasaccharide fraction via a phosphate linkage. It has the role of antimicrobial agent . It is also related to or classified as glycophospholipid  .
The molecule C1CCCCC1 C1CCCCC1 is 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. It has the role of non-polar solvent .  It is also related to or classified as cycloalkane  . It is also related to or classified as volatile organic compound .
The molecule C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H]([C@H]4C=O)O)C)C)\\C(C)C is a 3beta-sterol that is (24Z)-stigmasta-7,24(28)-diene which is substituted at the 3beta and 4alpha positions by hydroxy and formyl groups, respectively. It is a member of phytosterols, a 3beta-sterol, a Delta(7)-sterol and a 4alpha-formyl steroid. It derives from a 4alpha-formyl-ergosta-7,24(28)-dien-3beta-ol and a 4alpha-hydroxymethyl-stigmasta-7,24(24(1))-dien-3beta-ol.
The molecule CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO CC(C)CCCCCCCCC\C=C\[C@@H](O)[C@@H](N)CO is A sphingoid that is hexadecasphing-4-enine substituted at position 15 by a methyl group.  It is also related to or classified as sphingoid  . It is also related to or classified as aminodiol .
The molecule C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)[O-] is a dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of diphenic acid. It is a conjugate base of a diphenate(1-).
The molecule O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)=CC2)(CO)CC1 O[C@@H]1C[C@H]2[C@]([C@@H]3C([C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)=CC2)(CO)CC1 is Abscisterol B. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO C[C@@H]1CN(C(=O)C2=C(C(=CC=C2)NC(=O)C3=CC(=NN3C)C)O[C@H]1CN(C)C(=O)NC4CCCCC4)[C@H](C)CO is N-[(2R,3R)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-2,5-dimethyl-3-pyrazolecarboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
The molecule C[NH+](C)CCOP([O-])([O-])=O C[NH+](C)CCOP([O-])([O-])=O is conjugate base of N,N-dimethylethanolamine phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule O=C(O)C1=C(O)C=CC=C1/C=C/C=C/[C@H](C(=O)/C(=C/C2OC2C)/C)[C@@H](OC)C O=C(O)C1=C(O)C=CC=C1/C=C/C=C/[C@H](C(=O)/C(=C/C2OC2C)/C)[C@@H](OC)C is Gibbestatin B. Its functional parent is salicylic acid . It is also related to or classified as hydroxybenzoic acid .
The molecule C#[C-].[Na+] is the salt formed from the acetylide monoanion and a single sodium cation. It is an acetylide and an organic sodium salt. It contains a dicarbide(1-).
The molecule O[As](O)O O[As](O)O is an arsenic oxoacid consisting of three hydroxy groups attached to a central arsenic atom. It is a conjugate acid of arsenite(1-) . It is also related to or classified as arsenic oxoacid .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[C@@H]4[C@H](O[C@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)COP(=O)([O-])[O-])O)O)N is an organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of pApA. Major microspecies at pH 7.3. It is a conjugate base of a pApA.
The molecule O=C1C(OC)=CC(=O)C(=C1C)CC2=C(O)C(OC)=C(O)C(=C2)OC O=C1C(OC)=CC(=O)C(=C1C)CC2=C(O)C(OC)=C(O)C(=C2)OC is Salmoquinone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule N1C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C(CC2)(O)O)=N N1C(N2[C@@]3([C@]([C@@H]1CO)(NC(N3)=N)[H])C(CC2)(O)O)=N is A pyrrolopurine that is 2,6-diiminodecahydropyrrolo[1,2-c]purine carrying an additional hydroxymethyl substituent at position 4 as well as two hydroxy substituents at position 10. A toxin that is isolated from marine dinoflagellates and cyanobacteria and is known to cause paralytic shellfish poisoning. It has the role of toxin . It has the role of xenobiotic . It has the role of neurotoxin . It has the role of marine metabolite . It has the role of bacterial metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as paralytic shellfish toxin  .  It is also related to or classified as alkaloid  .  It is also related to or classified as ketone hydrate  . It is also related to or classified as pyrrolopurine , guanidines .
The molecule OP(O)(O)=O.C[C@@H](COc1ccccc1Cc1ccccc1)N1CCCCC1 OP(O)(O)=O.C[C@@H](COc1ccccc1Cc1ccccc1)N1CCCCC1 is an organoammonium phosphate resulting from the formal reaction of equimolar amounts of (S)-benproperine and phosphoric acid. It is also related to or classified as organoammonium phosphate .
The molecule C[C@@H]([NH3+])C(=O)N[C@H](C)C([O-])=O C[C@@H]([NH3+])C(=O)N[C@H](C)C([O-])=O is A dipeptide zwitterion that is the zwitterionic form of D-alanyl-D-alanine arising from migration of a proton from the OH of the carboxy terminus to the amino terminus. It has the role of Escherichia coli metabolite . It is also related to or classified as dipeptide zwitterion  .
The molecule C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O is a racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure. It has a role as a cyclooxygenase 2 inhibitor, a cyclooxygenase 1 inhibitor, a non-steroidal anti-inflammatory drug and an analgesic. It contains a (R)-ketorolac and a (S)-ketorolac. It is a conjugate acid of a ketorolac(1-).
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)OC)NC(=O)C)O)CO)O)O)O is an amino trisacharide that is 2-acetamido-2-deoxy-beta-D-glucopyranose in which the hydroxy groups at positions 3 and 2 have been converted into the corresponding 2-O-methyl-beta-D-galactopyranosyl and alpha-L-fucopyranosyl derivatives, respectively. It is a member of acetamides and an amino trisaccharide.
The molecule [S--] [S--] is A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. It is also related to or classified as divalent inorganic anion .
The molecule C1=CC(=CC=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O is a natural product found in Rheedia edulis and Garcinia livingstonei. It has a role as a plant metabolite. It is a biflavonoid, a hydroxyflavanone and a hydroxyflavone.
The molecule COc1c2occc2c(O)c2ccc(=O)oc12 COc1c2occc2c(O)c2ccc(=O)oc12 is A member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5. It has the role of metabolite . Its functional parent is methoxsalen . It is a conjugate acid of 5-hydroxyxanthotoxin(1-) . It is also related to or classified as psoralens .
The molecule CN1c2ccccc2Sc2ccc(CC(O)=O)cc12 CN1c2ccccc2Sc2ccc(CC(O)=O)cc12 is phenothiazine substituted at nitrogen by a methyl group and at C-2 by a carboxymethyl group. It has the role of non-steroidal anti-inflammatory drug . It has the role of drug allergen . Its functional parent is 10H-phenothiazine . It is also related to or classified as phenothiazines .
The molecule [H][N+]([H])(CCS([O-])(=O)=O)CC(N)=O [H][N+]([H])(CCS([O-])(=O)=O)CC(N)=O is 2-[(2-amino-2-oxoethyl)ammonio]ethanesulfonate.  It is also related to or classified as 1,1-diunsubstituted alkanesulfonate  . It is also related to or classified as ACES .
The molecule [NH3+]C(CO)C(=O)NNCc1ccc(O)c(O)c1O [NH3+]C(CO)C(=O)NNCc1ccc(O)c(O)c1O is an ammonium ion resulting from the protonation of the primary amino group of benserazide. It is a conjugate acid of benserazide . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC3=CC=C(C=C3)F is 1-[[(3S,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-(4-fluorophenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Br-].O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.O [Br-].O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O.O is A hydrate that is the monohydrate form of tiotropium bromide. Used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. It has the role of bronchodilator agent . It has the role of muscarinic antagonist . It is also related to or classified as hydrate .
The molecule NC(=[NH2+])NCCOP([O-])(=O)OC[C@H]([NH3+])C([O-])=O NC(=[NH2+])NCCOP([O-])(=O)OC[C@H]([NH3+])C([O-])=O is A zwitterionic form of L-lombricine where the carboxy and phosphate groups are anionic and the amino and guanidino groups are cationic; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCCCCCC/C=C\\C/C=C\\CCCCCO)O is an omega-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z)-18-hydroxyoctadecadienoic acid. It is an omega-hydroxy fatty acyl-CoA, a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (9Z,12Z)-18-hydroxyoctadecadienoyl-CoA(4-).
The molecule C1=CC(=CC=C1N)S(=O)(=O)NC(=S)N is a substituted aniline that is thiourea in which one of the hydrogens has been replaced by a (p-aminophenyl)sulfonyl group. It has a role as an antibacterial drug and an EC 2.5.1.15 (dihydropteroate synthase) inhibitor. It is a sulfonamide antibiotic, a member of thioureas and a substituted aniline. It derives from a sulfanilamide.
The molecule O=C/1N2[C@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2 O=C/1N2[C@](OC)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@H](O)CC2 is (+/-)-8-hydroxy-brevianamide R. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C12=C(C=CC3=C1N=C(N3C)NOC(C)=O)N=CC=C2 C12=C(C=CC3=C1N=C(N3C)NOC(C)=O)N=CC=C2 is an imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an acetoxyamino group at position 2. The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ). It has the role of carcinogenic agent . It has the role of human xenobiotic metabolite . It has the role of rat metabolite . It is also related to or classified as N-acetoxyarylamine  . It is also related to or classified as imidazoquinoline .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)CC3=CC=C(C=C3)OC is N-[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[NH2+]CCOP(=O)([O-])[O-] is conjugate base of N-methylethanolamine phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3. It has a role as a human metabolite. It is a conjugate base of a N-methylethanolamine phosphate.
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H]1O)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H]1O)CO is A D-lyxofuranose that has beta- configuration at the anomeric centre. It is also related to or classified as D-lyxofuranose  .
The molecule CSC1=NC2=CC=CC=C2S1 is an organic sulfide that is the methyl thioether of 1,3-benzothiazole-2-thiol. It has a role as an aryl hydrocarbon receptor agonist and a xenobiotic metabolite. It is a member of benzothiazoles and a methyl sulfide. It derives from a hydride of a benzothiazole.
The molecule Cn1cnc2[nH]c(=O)[nH]c(=O)c12 Cn1cnc2[nH]c(=O)[nH]c(=O)c12 is an oxopurine that is xanthine in which the hydrogen attached to the nitrogen at position 7 is replaced by a methyl group. It is an intermediate metabolite in the synthesis of caffeine. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of human xenobiotic metabolite . Its functional parent is 7H-xanthine . It is also related to or classified as oxopurine , purine alkaloid .
The molecule [C@@H]1(O[C@@H]([C@@H](CC1)N)O[C@H]2[C@H](O)[C@H]([C@@H](C[C@@H]2N)N)O[C@H]3OC[C@]([C@@H]([C@H]3O)NC)(C)O)CNC.S(O)(=O)(=O)O [C@@H]1(O[C@@H]([C@@H](CC1)N)O[C@H]2[C@H](O)[C@H]([C@@H](C[C@@H]2N)N)O[C@H]3OC[C@]([C@@H]([C@H]3O)NC)(C)O)CNC.S(O)(=O)(=O)O is micronomicin sulfate. Its functional parent is micronomicin . It is also related to or classified as aminoglycoside sulfate salt .
The molecule O=C/1N2[C@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H]5O[C@@H]5C2 O=C/1N2[C@](O)(C(=O)N\C1=C/C=3C4=C(C=CC=C4)NC3C(C=C)(C)C)[C@@H]5O[C@@H]5C2 is (+/-)-7,8-epoxy-brevianamide Q. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC(=O)C\C(=C\C=C(\O)C(O)=O)C(O)=O OC(=O)C\C(=C\C=C(\O)C(O)=O)C(O)=O is the (2Z,4E)-stereoisomer of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid. It is a conjugate acid of (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) . It is also related to or classified as 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid  .
The molecule C=1(C2=C(C(=CC1C(=O)[O-])Cl)C[C@H](OC2=O)C)O C=1(C2=C(C(=CC1C(=O)[O-])Cl)C[C@H](OC2=O)C)O is conjugate base of ochratoxin alpha; major species at pH 7.3. It is also related to or classified as organochlorine compound  . It is also related to or classified as isocoumarins , isochromanes .
The molecule Oc1c(Br)cc(cc1Br)C([O-])=O Oc1c(Br)cc(cc1Br)C([O-])=O is 3,5-dibromo-4-hydroxybenzoate. Its functional parent is benzoate . Its functional parent is 2,6-dibromophenol . It is also related to or classified as monohydroxybenzoate .
The molecule C[C@](O)(CO)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O C[C@](O)(CO)[C@H](O)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O is dianion of 4-CDP-2-C-methyl-D-erythritol arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
The molecule O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]2[C@H](O)[C@@H](O)C(OC2)O O([C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H]2[C@H](O)[C@@H](O)C(OC2)O is A glycosylxylose consisting of alpha-D-glucopyranose and D-xylopyranose residues joined in sequence by a (1->4) glycosidic bond. Its functional parent is alpha-D-glucose . Its functional parent is D-xylopyranose . It is also related to or classified as glycosylxylose .
The molecule C[C@@H](CC/C=C(\\C)/C=O)/C=C/O is an 8-oxocitronellyl enol in which the chiral centre has S configuration. It is an enantiomer of a (R)-8-oxocitronellyl enol.
The molecule [O-]c1c[nH]c2ccccc2c1=O [O-]c1c[nH]c2ccccc2c1=O is conjugate base of 3-hydroxyquinolin-4(1H)-one arising from deprotonation of the 3-hydroxy group; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule CC(C)C1=C(C2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC is a member of the class of furanocoumarins that is furo[3,2-g]chromen-7-one, bearing additional isopropyl and methoxy substituents at positions 2 and 3 respectively. It has a role as a plant metabolite. It is a furanocoumarin, an aromatic ether and a lactone.
The molecule O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC O=C(N[C@H]([C@H](O)[C@H](O)CCCCCCCCCCCCCC)CO)[C@H](O)CCCCCCCCCCCCCCCCCCCCCCCC is (2S, 3S, 4R)-2-[(2'R)-2'-hydroxyhexacosanoylamino]-1, 3, 4-octadecanetriol. It is also related to or classified as N-acylphytosphingosine  .
The molecule O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(O[C@@H](CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)C O1[C@H]([C@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC=2C3=C(O[C@@H](CC3=O)C4=CC=C(O)C=C4)C=C(O)C2)C is Naringenin 5-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC(=O)NC(CCCNC(N)=O)C(O)=O CC(=O)NC(CCCNC(N)=O)C(O)=O is an N-acetyl-amino acid that is the N(alpha)-acetyl derivative of citrulline. Its functional parent is citrulline . It is also related to or classified as N-acetyl-amino acid , monocarboxylic acid , ureas .
The molecule C=1(C2=C(C(=CC1C(=O)O)Cl)C[C@H](OC2=O)C)O C=1(C2=C(C(=CC1C(=O)O)Cl)C[C@H](OC2=O)C)O is A member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A. It has the role of human xenobiotic metabolite . It has the role of bacterial xenobiotic metabolite . It has the role of marine xenobiotic metabolite . It has the role of human urinary metabolite . It is a conjugate acid of ochratoxin alpha(1-) .  It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as benzoic acids , isocoumarins , isochromanes .
The molecule COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@@H](CC4=C(C5=C(C=C24)OCO5)O)COC3=O is an organic heterotetracyclic compound that is alpha-peltatin in which the phenolic hydroxy group of the 4-hydroxy-3,5-dimethoxyphenyl substitutent had been converted into the corresponding methyl ether. It has a role as an antineoplastic agent and a plant metabolite. It is a furonaphthodioxole, a lignan, a member of phenols, a gamma-lactone and an organic heterotetracyclic compound. It derives from an alpha-peltatin.
The molecule NC(CO)(CO)CO NC(CO)(CO)CO is A primary amino compound that is tert-butylamine in which one hydrogen attached to each methyl group is replaced by a hydroxy group. A compound widely used as a biological buffer substance in the pH range 7--9; pKa = 8.3 at 20 degreeC; pKa = 7.82 at 37 degreeC. It has the role of buffer . It is also related to or classified as triol , primary amino compound .
The molecule CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O CCS(=O)(=O)CCn1c(C)ncc1[N+]([O-])=O is 1H-imidazole substituted at C-1 by a (2-ethylsulfonyl)ethyl group, at C-2 by a methyl group and at C-5 by a nitro group.  It is used as an antiprotozoal, antibacterial agent. It has the role of antiamoebic agent . It has the role of antiparasitic agent . It has the role of antiprotozoal drug . It has the role of antibacterial drug . It is also related to or classified as imidazoles .
The molecule CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O CCN1CCCC1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O is A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine. It has the role of antidepressant . It has the role of antipsychotic agent . It has the role of dopaminergic antagonist . It has the role of antiemetic .  It is also related to or classified as sulfonamide  . It is also related to or classified as benzamides , N-alkylpyrrolidine .
The molecule C([C@@H]1[C@@H]([C@@H](C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O is the furanose form of D-tagatose 1,6-bisphosphate. It derives from a D-tagatofuranose. It is a conjugate acid of a D-tagatofuranose 1,6-bisphosphate(4-).
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2O[C@H]3[C@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)O)O)O is an amino tetrasaccharide that is 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose in which the hydroxy group at position 2 of the central alpha-D-galactopyranosyl moiety has been glycosylated by an alpha-L-fucopyranosyl group. It is an amino tetrasaccharide and a member of acetamides. It derives from an alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-alpha-D-Galp.
The molecule C[C@H](C([O-])=O)[C@@](O)(CC([O-])=O)C([O-])=O C[C@H](C([O-])=O)[C@@](O)(CC([O-])=O)C([O-])=O is trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid. It is also related to or classified as tricarboxylic acid trianion .
The molecule O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)O)C)C)C)C)CC2=CC=CC=C2)C O=C1N([C@H](C(=O)O[C@H]([C@@H]([C@H](OC(=O)C)[C@H](C=C([C@H]([C@@H](C=C1)C)O)C)C)C)C)CC2=CC=CC=C2)C is Torrubiellutin C. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O Cl.NC(CO)C(=O)NNCc1ccc(O)c(O)c1O is A hydrochloride that is the monohydrochloride salt of benserazide. An aromatic-L-amino-acid decarboxylase inhibitor (DOPA decarboxylase inhibitor) that does not enter the central nervous system, it is used as an adjunct to levodopa in the treatment of parkinsonism. By preventing the conversion of levodopa to dopamine in the periphery, it causes an increase in the amount of levodopa reaching the central nervous system and so reduces the required dose. Benserazide hydrochloride has no antiparkinson actions when given alone. It has the role of antiparkinson drug . It has the role of dopaminergic agent . It has the role of EC 4.1.1.28 (aromatic-L-amino-acid decarboxylase) inhibitor . It is also related to or classified as hydrochloride .
The molecule OC(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)O)O)=O OC(CCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCCC)O)O)=O is A DiHETE that is (5Z,8Z,10E,12E)-icosatetraenoic acid carrying two hydroxy substituents at positions 14 and 15 (the 14R,15S-stereoisomer). It has the role of human xenobiotic metabolite . It is a conjugate acid of 14(R),15(S)-DiHETE(1-) . It is also related to or classified as dihydroxyicosatetraenoic acid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]1(C[C@@]2([H])NCCc3c2[nH]c2ccccc32)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC [H][C@]1(C[C@@]2([H])NCCc3c2[nH]c2ccccc32)C[C@]2([H])N(CCc3ccccc23)C[C@@H]1CC is tubulosan. It is also related to or classified as indole alkaloid fundamental parent , indole alkaloid .