anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=1(C=CC(=C(C1)Br)O)C([O-])=O C=1(C=CC(=C(C1)Br)O)C([O-])=O is A monohydroxybenzoate that is the conjugate base of 3-bromo-4-hydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is benzoate . It is also related to or classified as monohydroxybenzoate .
The molecule CC(C)[C@](CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl is a hydrochloride salt resulting from the reaction of equimolar amounts of (S)-verapamil and hydrogen chloride. It is an enantiomer of a dexverapamil hydrochloride.
The molecule [NH3+][C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C([O-])=O [NH3+][C@@H](CCSC[C@H]1OC(O)[C@H](O)[C@@H]1O)C([O-])=O is zwitterionic form of S-(5-deoxy-D-ribos-5-yl)-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O=C1C=C2C(C3C(C4C(C(O)(CCC(=O)O)CC4)(C)CC3)CC2)(C)CC1 O=C1C=C2C(C3C(C4C(C(O)(CCC(=O)O)CC4)(C)CC3)CC2)(C)CC1 is 3-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule OC(CC/C=C\C/C=C\C[C@H](/C=C/C=C/C=C\[C@@H](C/C=C\CC)O)O)=O OC(CC/C=C\C/C=C\C[C@H](/C=C/C=C/C=C\[C@@H](C/C=C\CC)O)O)=O is A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer). It has the role of specialised pro-resolving mediator . It has the role of neuroprotective agent . It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . It is a conjugate acid of aspirin-triggered protectin D1(1-) . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as dihydroxydocosahexaenoic acid .
The molecule C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4C[C@H]([C@@]5([C@@](CC[C@@]5([C@@]4(CC=C3C2)O)O)(C(=O)C)O)C)OC(=O)/C=C/C6=CC=CC=C6)C)O)O is a steroid glycoside isolated from the roots of Cynanchum auriculatum and has been shown to exhibit cytotoxicity against human tumour cell lines. It has a role as a metabolite and an antineoplastic agent. It is a 17beta-hydroxy steroid, a cinnamate ester, a methyl ketone, a deoxy hexoside, a steroid ester, a steroid saponin and a tertiary alpha-hydroxy ketone. It derives from a hydride of a pregnane.
The molecule [H][C@]12OC=C[C@@]1([H])c1c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc1O2 [H][C@]12OC=C[C@@]1([H])c1c(O)c3C(=O)c4c(O)cc(O)cc4C(=O)c3cc1O2 is an organic heteropentacyclic compound that is 3a,12a-dihydroanthra[2,3-b]furo[3,2-d]furan-5,10-dione carrying three hydroxy substituents at positions 4, 6 and 8. It has the role of carcinogenic agent . It has the role of Aspergillus metabolite . It is a conjugate acid of versicolorin A(1-) . It is also related to or classified as p-quinones , polyphenol , organic heteropentacyclic compound , cyclic acetal .
The molecule C[C@@H]1CCc2c(C)coc2C1 C[C@@H]1CCc2c(C)coc2C1 is A menthofuran that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6 (the 6R-enantiomer). It is also related to or classified as menthofuran  .
The molecule COc1ccc(cc1)-c1oc2c(c(O)cc(O)c2c(=O)c1O)C(C)(C)C=C COc1ccc(cc1)-c1oc2c(c(O)cc(O)c2c(=O)c1O)C(C)(C)C=C is A 7-hydroxyflavonol that is kaempferide substituted by a 1,1-dimethylallyl group at position 8. It has the role of plant metabolite . Its functional parent is kaempferide . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as trihydroxyflavone .
The molecule C1(C(NC(C1N)=O)CC=2C=CC(=CC2)O)(C)C C1(C(NC(C1N)=O)CC=2C=CC(=CC2)O)(C)C is A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one which is substituted by an amino group at position 3, by two methyl groups at position 4 and by a 4-hydroxybenzyl group at position 5. It is a biosynthetic precursor in the synthesis of mycofactocin. It is also related to or classified as phenols  .   It is also related to or classified as pyrrolidin-2-ones  . It is also related to or classified as aminopyrrolidine , primary amino compound .
The molecule ClC1=CC=2C(=NCC(N(C2C=C1)CCN)=O)C3=C(F)C=CC=C3 ClC1=CC=2C(=NCC(N(C2C=C1)CCN)=O)C3=C(F)C=CC=C3 is A primary amino compound resulting from the dealkylation of both ethyl groups of the anti-insomnia drug flurazepam. It is the major metabolite of flurazepam. It has the role of anxiolytic drug . It has the role of anticonvulsant . It has the role of sedative . It has the role of drug metabolite . It has the role of GABAA receptor agonist .  It is also related to or classified as organochlorine compound  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as 1,4-benzodiazepinone , primary amino compound .
The molecule C1CNC(=S)NC1=O C1CNC(=S)NC1=O is 2-sulfanyl-2,3-dihydro-1H-pyrimidin-4-one. It is also related to or classified as organic heteromonocyclic compound , organonitrogen heterocyclic compound .
The molecule C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O is a D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. It has a role as a mouse metabolite. It derives from a beta-D-fructofuranose. It is a conjugate acid of a beta-D-fructofuranose 1,6-bisphosphate(4-).
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@@H](C)CO)C)CN(C)S(=O)(=O)C is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(methylsulfonyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl.CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O Cl.CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O is the hydrochloride salt of azelastine. It has the role of bronchodilator agent . It has the role of H1-receptor antagonist . It has the role of anti-asthmatic drug . It has the role of platelet aggregation inhibitor . It has the role of anti-allergic agent . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . It is also related to or classified as hydrochloride .
The molecule ClC1=CC=2C(=NCC(N(C2C=C1)CCN(CCO)CC)=O)C3=C(F)C=CC=C3 ClC1=CC=2C(=NCC(N(C2C=C1)CCN(CCO)CC)=O)C3=C(F)C=CC=C3 is hydroxyethylflurazepam. It has the role of sedative . It has the role of human xenobiotic metabolite . It has the role of human urinary metabolite . Its functional parent is flurazepam .  It is also related to or classified as organochlorine compound  .  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as 1,4-benzodiazepinone , tertiary amino compound .
The molecule C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@H]([C@H]2O)OC)C)NC=O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)OCCCCCN)O)O)O)NC=O is a methyl glycoside that consists of a 4-O-(5-aminopentyl)-alpha-D-mannose residue and two N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a methyl group. It is a methyl glycoside and a trisaccharide derivative.
The molecule C(C(O)=O)CCCC\C=C/C=C/C=C/C1C(C/C=C\C/C=C\CC)O1 C(C(O)=O)CCCC\C=C/C=C/C=C/C1C(C/C=C\C/C=C\CC)O1 is an epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators. It has the role of human xenobiotic metabolite . It is a conjugate acid of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoate . It is also related to or classified as epoxydocosapentaenoic acid .
The molecule CC(C)[C@@H](C(=O)[O-])NC(=O)[C@H](CNC(=O)/C=C/C(=O)N)[NH3+] is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of dapdiamide A; major species at pH 7.3. It has a role as a bacterial metabolite. It is a tautomer of a dapdiamide A.
The molecule C1=CC2=CC=CC2=C1 C1=CC2=CC=CC2=C1 is pentalene. It is also related to or classified as ortho-fused bicyclic hydrocarbon , mancude carbobicyclic parent .
The molecule CC(C)N1C=NC2=C(NCCC3=CC=C(C=C3)O)N=C(C4=CSC5=CC=CC=C45)N=C21 CC(C)N1C=NC2=C(NCCC3=CC=C(C=C3)O)N=C(C4=CSC5=CC=CC=C45)N=C21 is inhibitor of the aryl hydrocarbon receptor. It is also related to or classified as organic molecular entity .
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)C(=O)CC3=CC=CC=C3 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)C(=O)CC3=CC=CC=C3 is N-[[(3S,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(CNC(=O)CCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC)CC(O)=O OC(CNC(=O)CCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC)CC(O)=O is N-Arachidonoyl-3-hydroxy-g-Aminobutyric Acid. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(O)[C@H]1OC(OC2=CN=C3N4C(CN(C)CC4)C5=C(CC3=C2)C=CC=C5)[C@H](O)[C@H]([C@@H]1O)O O=C(O)[C@H]1OC(OC2=CN=C3N4C(CN(C)CC4)C5=C(CC3=C2)C=CC=C5)[C@H](O)[C@H]([C@@H]1O)O is 2-methyl-1,2,3,4,10,14b-hexahydropyrazino[2,1-a]pyrido[2,3-c][2]benzazepin-8-yl L-glucopyranosiduronic acid. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C is N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-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-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)S(=O)(=O)N(C)C)CC1 CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)S(=O)(=O)N(C)C)CC1 is A phenothiazine derivative in which the phenothiazine tricycle has a dimethylaminosulfonyl substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at N-10. It has the role of phenothiazine antipsychotic drug . It is also related to or classified as sulfonamide  . It is also related to or classified as phenothiazines , N-methylpiperazine , N-alkylpiperazine .
The molecule C(CC/C=C\C[C@H](OO)/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)(O)=O C(CC/C=C\C[C@H](OO)/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)(O)=O is A docosanoid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 14S-positions. It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid .  It is also related to or classified as hydroperoxy polyunsaturated fatty acid  . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid .
The molecule C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)OCC(=O)O is a derivative of uridine, bearing an additional carboxymethoxy substituent at position 5 on the uracil ring. It is a member of uridines and a monocarboxylic acid.
The molecule [O-][N+]1(CC2N(C3=NC=CC=C3CC4=C2C=CC=C4)CC1)C [O-][N+]1(CC2N(C3=NC=CC=C3CC4=C2C=CC=C4)CC1)C is Mirtazapine-N-oxide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 CC(=O)OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1 is A phenothiazine derivative in which 10H-phenothiazine has a chloro subsitituent at the 2-position and a 3-[4-(2-acetoxyethyl)piperazin-1-yl]propyl group at N-10. It has the role of phenothiazine antipsychotic drug . It has the role of dopaminergic antagonist . It is also related to or classified as organochlorine compound  .   It is also related to or classified as acetate ester  . It is also related to or classified as phenothiazines , N-alkylpiperazine .
The molecule CC1(C)CCCC(C)(CN=C=O)C1 CC1(C)CCCC(C)(CN=C=O)C1 is an isocyanate that is 1,1,3,3-tetramethylcyclohexane in which one of the methyl groups carries a isocyanato substituent. It is also related to or classified as isocyanates .
The molecule CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CC[NH+](C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](OP([O-])([O-])=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C([O-])=C3C CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CC[NH+](C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](OP([O-])([O-])=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C([O-])=C3C is an organophosphate oxoanion obtained by deprotonation of the phosphate and 5-hydroxy groups as well as protonation of the tertiary amino group of 21-phosphorifampicin. It is the major species at pH 7.3 (according to Marvin v 6.2.0.). Its functional parent is rifampicin zwitterion . It is also related to or classified as organophosphate oxoanion .
The molecule CCC(=O)NCC(=O)O is a N-acylglycine obtained by formal condensation of the carboxy group of propionic acid with the amino group of glycine. It has a role as a human urinary metabolite. It derives from a propionic acid. It is a conjugate acid of a propionylglycinate.
The molecule O=C1N[C@@H](C(=O)N2C1(O)CCC2)CC(C)C O=C1N[C@@H](C(=O)N2C1(O)CCC2)CC(C)C is Cyclo(2-hydroxy-Pro-R-Leu). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C is 1-(1,3-benzodioxol-5-yl)-3-[(3R,9R,10R)-9-[(dimethylamino)methyl]-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-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C2=C(C(=O)C=C1C3=CC(OC)=C(O)C(OC)=C3)C(O)=CC(OC)=C2OC O1C2=C(C(=O)C=C1C3=CC(OC)=C(O)C(OC)=C3)C(O)=CC(OC)=C2OC is 4',5-Dihydroxy-3',5',7,8-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule OC1=CN=C2N3[C@@H](CN(C)CC3)C4=C(CC2=C1)C=CC=C4 OC1=CN=C2N3[C@@H](CN(C)CC3)C4=C(CC2=C1)C=CC=C4 is 8-hydroxymirtazapine. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule Cc1ccc(Cc2ccc(cc2)N=C=O)cc1 Cc1ccc(Cc2ccc(cc2)N=C=O)cc1 is an isocyanate that is diphenylmethane with a isocyanato substituent at the 4-position of one phenyl ring and a methyl group at the 4-position of the other. It is also related to or classified as isocyanates .
The molecule C(CC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O C(CC/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O is A dihydroxydocosahexaenoic acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions. It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as dihydroxydocosahexaenoic acid .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(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-])O is a 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA; major species at pH 7.3. It is a conjugate base of a (2E,23Z,26Z,29Z,32Z)-octatriacontapentaenoyl-CoA.
The molecule [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@](C)(CO)CCC[C@]21C)C(C)C [H][C@]12CCC(=CC1=CC[C@@]1([H])[C@](C)(CO)CCC[C@]21C)C(C)C is an abietane diterpenoid having the skeleton of abietane with double bonds at C-7 and C-13 and a hydroxy function at C-18. It is also related to or classified as abietane diterpenoid .
The molecule Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1 is 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis. It has the role of photosensitizing agent . It has the role of dermatologic drug . It is also related to or classified as psoralens .
The molecule N1=C2N3C(C=4C=CC=CC4CC2=CC=C1)CNCC3 N1=C2N3C(C=4C=CC=CC4CC2=CC=C1)CNCC3 is A benzazepine metabolite resulting from demethylation of the antidpressant, mirtazapine. It has the role of anxiolytic drug . It has the role of alpha-adrenergic antagonist . It has the role of H1-receptor antagonist . It has the role of histamine antagonist . It has the role of serotonergic antagonist . It has the role of human xenobiotic metabolite . It is also related to or classified as benzazepine  . It is also related to or classified as tetracyclic antidepressant .
The molecule ClC1=C2OC(=O)C(NC(=O)C3=CC(OC)=C(O)C=C3)=C(C2=CC=C1OC4OC(C(OC)C(C4OC(=O)C=5NC(C)=CC5)O)(C)C)O ClC1=C2OC(=O)C(NC(=O)C3=CC(OC)=C(O)C=C3)=C(C2=CC=C1OC4OC(C(OC)C(C4OC(=O)C=5NC(C)=CC5)O)(C)C)O is Isovanillobiocin.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule C(CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O C(CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](C/C=C\C/C=C\CC)O)(O)=O is A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions. It has the role of specialised pro-resolving mediator . It has the role of human xenobiotic metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is a conjugate acid of (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as dihydroxydocosahexaenoic acid .
The molecule C1=CC(=CC(=C1)N2C(=O)C(=CC3=CC=C(C=C3)C(=O)O)SC2=S)C(F)(F)F is a thiazolidinone that is 2-thioxo-4-thiazolidinone which is substituted at position 3 by a (m--trifluoromethyl)phenyl group and at position 5 by a p-carboxybenzylidene group. It is an inhibitor of cystic fibrosis transmembrane conductance regulator, a membrane protein and chloride channel in vertebrates that is encoded by the CFTR gene. It has a role as an EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor. It is a member of benzoic acids, a member of (trifluoromethyl)benzenes and a thiazolidinone.
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)OC 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)OC is 1-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2S)-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-methoxyphenyl)-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1CCc2c(C)coc2C1 CC1CCc2c(C)coc2C1 is A monoterpenoid that is 4,5,6,7-tetrahydro-1-benzofuran substituted by methyl groups at positions 3 and 6. It has the role of nematicide . It has the role of plant metabolite . It is also related to or classified as monoterpenoid , 1-benzofurans .
The molecule O1C2=C(C(=O)C=C1C3=CC(OC)=C(OC)C(OC)=C3)C=CC(OC)=C2OC O1C2=C(C(=O)C=C1C3=CC(OC)=C(OC)C(OC)=C3)C=CC(OC)=C2OC is 3',4',5',7,8-Pentamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule S(=O)(=O)(O[N+]1=C(N=C(N2CCCCC2)C=C1N)N)O S(=O)(=O)(O[N+]1=C(N=C(N2CCCCC2)C=C1N)N)O is (2,6-diamino-4-piperidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate. It is also related to or classified as dialkylarylamine , tertiary amino compound .
The molecule OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\1/[C@@H](C/C=C\CC)O1)=O OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\1/[C@@H](C/C=C\CC)O1)=O is A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 16 and 17. It is a conjugate acid of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate .   It is also related to or classified as long-chain fatty acid  . It is also related to or classified as docosanoid , epoxy fatty acid , polyunsaturated fatty acid .
The molecule CC1=CC(=C(C(=C1)C2=CC(=C(C(=O)O2)C)OC)C3=CC=CC=C3)C is a member of the class of 2-pyranones that is 2H-pyran-2-one substituted by a methoxy group at position 4, a methyl group at position 3 and a 4,6-dimethylbiphenyl-2-yl group at position 6. It has been isolated from an endophytic fungus, Aspergillus niger. It has a role as an Aspergillus metabolite and an antineoplastic agent. It is a member of 2-pyranones and a ring assembly.
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)CNC 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)CNC is N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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 [H]C(=O)CCCC([NH3+])C([O-])=O [H]C(=O)CCCC([NH3+])C([O-])=O is zwitterionic form of allysine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule O=C1N([C@H](C(=O)O)CC)CCC1 O=C1N([C@H](C(=O)O)CC)CCC1 is Levetiracetam acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
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)S(=O)(=O)C3=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)S(=O)(=O)C3=CC=C(C=C3)F is N-[[(3R,9S,10S)-16-(dimethylamino)-12-[(2S)-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]-4-fluoro-N-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl Clc1c(Cl)c(Cl)c2C(=O)OC(=O)c2c1Cl is A cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions. It has the role of cross-linking reagent . It has the role of allergen . Its functional parent is phthalic anhydride . It is also related to or classified as tetrachlorobenzene  . It is also related to or classified as cyclic dicarboxylic anhydride .
The molecule O=C1C(=O)c2ncccc2-c2cccnc12 O=C1C(=O)c2ncccc2-c2cccnc12 is an orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline. It is also related to or classified as orthoquinones .
The molecule OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\1/[C@H](C/C=C\CC)O1)=O OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\1/[C@H](C/C=C\CC)O1)=O is A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 16 and 17. It is also related to or classified as long-chain fatty acid  . It is also related to or classified as polyunsaturated fatty acid , epoxy fatty acid .