anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC=C(OCC=CC)C=C2)=O)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C O=C1N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(N[C@H]1CC2=CC=C(OCC=CC)C=C2)=O)CC(C)C)C)CC3=CC=CC=C3)CC(C)C)C is Pseudoxylallemycin E. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=CC(=CC(=C1OC(CO)C(C2=CC(=C(C=C2)O)OC)O)OC)C3C4COC(C4CO3)C5=CC(=C(C=C5)O)OC is a lignan isolated from the seeds of Euryale ferox. It has a role as a plant metabolite and an antioxidant. It is a lignan and a member of guaiacols.
The molecule COc1cc2ccc(=O)oc2cc1O COc1cc2ccc(=O)oc2cc1O is A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. It has the role of plant growth regulator . It has the role of plant metabolite . Its functional parent is umbelliferone . It is also related to or classified as hydroxycoumarin .
The molecule Cc1c(C([O-])=O)c(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12 Cc1c(C([O-])=O)c(O)cc2cc3C(=O)c4cc(O)cc(O)c4C(=O)c3c(O)c12 is A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F1, obtained by deprotonation of the carboxy group. It is a conjugate acid of tetracenomycin D3(2-) . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule C(=C\C/C=C\C/C=C\CCCCCC(OCC(CO)O)=O)\C/C=C\CCCCC C(=C\C/C=C\C/C=C\CCCCCC(OCC(CO)O)=O)\C/C=C\CCCCC is A 1-monoglyceride resulting from the formal condensation of 1-(all-cis-docosa-7,10,13,16-tetraenoic acid (adrenic acid) with one of the primary hydroxy groups of glycerol. It has the role of EC 3.1.1.4 (phospholipase A2) inhibitor . It has the role of cyclooxygenase 2 inhibitor . Its functional parent is all-cis-docosa-7,10,13,16-tetraenoic acid . It is also related to or classified as 1-monoglyceride  .
The molecule [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2 [H][C@@]12CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)C=CC(=O)C2 is an anabolic steroid that differs from testosterone by having a 1,2-double bond instead of a 4,5-double bond in its A ring. A potent androgen with anabolic properties, it was legally sold as a prohormone in the U.S.A. until 2005, when it was reclassified as a Schedule III drug. It has the role of anabolic agent . It is also related to or classified as 3-oxo-Delta(1) steroid  . It is also related to or classified as 17beta-hydroxy steroid  . It is also related to or classified as anabolic androgenic steroid .
The molecule C([C@H]([NH3+])CSSC[C@H](C(=O)[O-])[NH3+])(=O)[O-] C([C@H]([NH3+])CSSC[C@H](C(=O)[O-])[NH3+])(=O)[O-] is A cysteine zwitterion derived from D-cysteine by transfer of a proton from each of the carboxy groups to the amino groups. It is also related to or classified as cystine zwitterion  .
The molecule [Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)(C)C [Si](O[Si](O[Si](O[Si](O[Si](O[Si](O[Si](C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)C)(C)(C)C is an organosiloxane that is heptasiloxane in which all the hydrogens have been replaced by methyl groups. It is also related to or classified as organosiloxane .
The molecule O=C(OC/C=C/CCC/C=C/CCCCCC)C1=CC(O)=C(N)C=C1 O=C(OC/C=C/CCC/C=C/CCCCCC)C1=CC(O)=C(N)C=C1 is B-5354b. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C S1C=2C(=NC(C)(C)C(C2CCC3=C4SC5=C(C(=O)C(C)(C)N[C@]5(C)CC4=NC(C3=O)(C)C)C)=O)C[C@]6(C1=C(C(=O)C(C)(C)N6)C)C is Meso-xylaridine D. It is also related to or classified as organosulfur heterocyclic compound , organic heteromonocyclic ring .
The molecule CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 is A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has the role of metabolite . It has the role of antidepressant . It has the role of muscarinic antagonist . It has the role of mydriatic agent . It has the role of antiemetic . It has the role of antispasmodic drug . It has the role of anaesthesia adjuvant . It has the role of adjuvant . Its functional parent is (S)-tropic acid . It is also related to or classified as epoxide  . It is also related to or classified as propanoate ester  . It is also related to or classified as tropane alkaloid , tertiary amino compound .
The molecule CCC(=C1C(=O)CC(CC1=O)C(=O)[O-])[O-] is an organic anion derived from prohexadione by deprotonation of both the carboxy group and a hydroxy group of any of the enolate forms of the triketo moiety. The corresponding calcium salt, prohexadione-calcium, is used as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator and a gibberellin biosynthesis inhibitor. It is a conjugate base of a prohexadione.
The molecule CC[C@H](O)C(O)=O CC[C@H](O)C(O)=O is an optically active form of 2-hydroxybutyric acid having (S)-configuration. It is a conjugate acid of (S)-2-hydroxybutyrate . It is also related to or classified as 2-hydroxybutyric acid  . It is also related to or classified as (2S)-2-hydroxy monocarboxylic acid  .
The molecule O1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)[C@@H](O)[C@H](O)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]([C@H]1CN)O O1[C@H](O[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@H]([C@H]3O)O)[C@@H](O)[C@H](O)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]([C@H]1CN)O is Inosamycin E. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule OCC(COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)O OCC(COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)O is A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of erucic acid. It has the role of food emulsifier . Its functional parent is glycerol . Its functional parent is erucic acid . It is also related to or classified as fatty acid ester  . It is also related to or classified as 1-monoglyceride  .
The molecule Cl.OC(CCN1CCCCC1)(C1CCCC1)c1ccccc1 Cl.OC(CCN1CCCCC1)(C1CCCC1)c1ccccc1 is the hydrochloride salt of cycrimine. A central anticholinergic, it is used as its hydrochloride salt in the management and treatment of Parkinson's disease. It has the role of antiparkinson drug . It has the role of muscarinic antagonist . It is also related to or classified as hydrochloride .
The molecule O=C(O)/C=C\NC(=O)[C@@H](O)C(C)C O=C(O)/C=C\NC(=O)[C@@H](O)C(C)C is Enamidin. Its functional parent is acrylic acid . It is also related to or classified as olefinic compound .
The molecule C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 C[n+]1cc2c3OCOc3ccc2c2ccc3cc4OCOc4cc3c12 is sanguinarine. It is also related to or classified as benzophenanthridine alkaloid , alkaloid antibiotic , botanical anti-fungal agent .
The molecule C1=CNC(=O)NC1=O is a common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. It has a role as a prodrug, a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a mouse metabolite and an allergen. It is a pyrimidine nucleobase and a pyrimidone. It is a tautomer of a (4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one.
The molecule O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1OC([C@@H](O)CC3=C(O)C=CC(=C3)C[C@]4(OC(=O)C(=C4C5=CC=C(O)C=C5)O)C(=O)OC)(C)C)C6=CC=C(O)C=C6 O=C1O[C@](C(=O)OC)(CC2=CC(=C(O)C=C2)CC=C(C)C)C(=C1OC([C@@H](O)CC3=C(O)C=CC(=C3)C[C@]4(OC(=O)C(=C4C5=CC=C(O)C=C5)O)C(=O)OC)(C)C)C6=CC=C(O)C=C6 is Asperbutenolide A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule CCC#CC(CN(C)C)(C)C CCC#CC(CN(C)C)(C)C is an acetylenic compound that is 2,2-tetramethyl-3-hexyn-1-amine in which both amino hydrogens have been replaced by methyl groups. It is also related to or classified as tertiary amine  . It is also related to or classified as acetylenic compound  .
The molecule C(CCCCCCCCCCCC)CCCCCCCCC(OCC(O)CO)=O C(CCCCCCCCCCCC)CCCCCCCCC(OCC(O)CO)=O is A fatty acid ester resulting from the formal condensation of the hydroxy group at position-1 of glycerol with the carboxy group of docosanoic acid. It has the role of antineoplastic agent . It has the role of plant metabolite . Its functional parent is glycerol . Its functional parent is docosanoic acid . It is also related to or classified as fatty acid ester  . It is also related to or classified as 1-monoglyceride  .
The molecule COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O COC1=C[C@]23CCN(C)[C@H](Cc4ccc(OC)c(O)c24)C3=CC1=O is A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. It has the role of metabolite . It has the role of anti-HBV agent . It is also related to or classified as morphinane alkaloid .
The molecule C=1C=C(C=CC1)C([C@H](NC)C)=O C=1C=C(C=CC1)C([C@H](NC)C)=O is A 2-methylamino-1-phenylpropan-1-one that has (R)-configuration. It is also related to or classified as 2-methylamino-1-phenylpropan-1-one  .
The molecule CC[C@H](O)C([O-])=O CC[C@H](O)C([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of (S)-2-hydroxybutyric acid, obtained by decarboxylation of the carboxy group. It is also related to or classified as 2-hydroxybutyrate  .
The molecule [H]C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO is the open-chain form of D-glucosamine. Its functional parent is aldehydo-D-glucose . It is also related to or classified as D-glucosamine  .
The molecule CC[C@H](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)O is a fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxybutanoyl-CoA; major species at pH 7.3. It is a conjugate acid of a (R)-2-hydroxybutanoyl-CoA.
The molecule S=C=N/C(/C(=O)O[C@H]1[C@H](O[C@H]2O[C@H]([C@](O)([C@@H](OC(=O)[C@@H](CC)C)C)[C@H](C2)O)C)[C@@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C S=C=N/C(/C(=O)O[C@H]1[C@H](O[C@H]2O[C@H]([C@](O)([C@@H](OC(=O)[C@@H](CC)C)C)[C@H](C2)O)C)[C@@H](O)[C@H]([C@@]3(O)C(O)=C(C(=N)C(C3)=O)C(=O)O)O[C@@H]1COC(=O)C)=C/C is O-demethylpaulomycin A. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule [H]C(=C([H])C(=O)CC(=O)C(O)=O)C(O)=O [H]C(=C([H])C(=O)CC(=O)C(O)=O)C(O)=O is A heptenedioic acid that is hept-2-enedioic acid substituted by oxo groups at positions 4 and 6. It is a conjugate acid of 4,6-dioxohept-2-enedioate . It is also related to or classified as heptenedioic acid , oxo dicarboxylic acid , beta-diketone .
The molecule OCC(COC(CCCCCCCCC/C=C\CCCCCCCC)=O)O OCC(COC(CCCCCCCCC/C=C\CCCCCCCC)=O)O is A 1-monoglyceride resulting from the formal condensation of the carboxy group of (11Z)-icosenoic acid (also known as gondoic acid) with one of the primary hydroxy groups of glycerol. It is also related to or classified as 1-monoglyceride  . It is also related to or classified as organic molecular entity .
The molecule Cl.CN(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1 Cl.CN(C)CCOC(=O)[C@H](c1ccccc1)C1(O)CCCC1 is the hydrochloride salt of (R)-cyclopentolate. It is also related to or classified as cyclopentolate hydrochloride , hydrochloride .
The molecule C=1C=C(C=CC1)C(C(NC)C)=O C=1C=C(C=CC1)C(C(NC)C)=O is an aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group. It is also related to or classified as secondary amino compound , aromatic ketone .
The molecule CC(=CCCC(=O)CC(=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)C is a 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 7-methyl-3-oxooct-6-enoyl-CoA; major species at pH 7.3. It is a conjugate base of a 7-methyl-3-oxooct-6-enoyl-CoA.
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3S)-hydroxyoctadecanoyl-CoA; major species at pH 7.3. It is also related to or classified as 3-hydroxy fatty acyl-CoA(4-)  . It is also related to or classified as long-chain fatty acyl-CoA(4-)  .
The molecule O=C1C=C(OCCC2=CC=C(O)C=C2)C[C@@H]([C@]1(O)CC)O O=C1C=C(OCCC2=CC=C(O)C=C2)C[C@@H]([C@]1(O)CC)O is Trieffusol C. It is also related to or classified as alcohol  . It is also related to or classified as phenols  .
The molecule CCCCC[C@@H](/C=C/[C@@H]1[C@H](C2CC(C2)O1)C/C=C\\CCCC(=O)O)O is a member of the class of thromboxanes that is thromboxane A2 in which the bridging oxygen has been replaced by a methylene group. It has a role as a vasoconstrictor agent and a thromboxane A2 agonist. It is a thromboxane, a hydroxy monocarboxylic acid, a bridged compound, a cyclic ether and a secondary allylic alcohol. It derives from a thromboxane A2. It is a conjugate acid of a carbocyclic thromboxane A2(1-).
The molecule OCc1ccccc1O OCc1ccccc1O is A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. It has the role of human urinary metabolite . Its functional parent is phenol . Its functional parent is benzyl alcohol .  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as hydroxybenzyl alcohol .
The molecule C(CCCCCCCCCCCC(OCC(CO)O)=O)CCCCCCC C(CCCCCCCCCCCC(OCC(CO)O)=O)CCCCCCC is A 1-monoglyceride resulting from the formal condensation of the carboxy group of icosanoic acid with one of the primary hydroxy groups of glycerol. It has the role of plant metabolite . Its functional parent is icosanoic acid . It is also related to or classified as 1-monoglyceride  .
The molecule O=C(O)[C@](O)([C@@H](N)CC(C)C)CC=1NC=NC1 O=C(O)[C@](O)([C@@H](N)CC(C)C)CC=1NC=NC1 is Leuhistin. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCC(SC[C@@H](C([O-])=O)[NH3+])(C)CCO CCCC(SC[C@@H](C([O-])=O)[NH3+])(C)CCO is an S-conjugate L-cysteine zwitterion substituted by a (1-hydroxy-3-methylhexan-3-yl) group; major species at pH 7.3. It is also related to or classified as S-alkyl-L-cysteine zwitterion  .
The molecule Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O Oc1ccc(cc1)-c1coc2cc3OCOc3c(O)c2c1=O is A hydroxyisoflavone that is 6,7-methylenedioxyisoflavone substituted by hydroxy groups at positions 5 and 4'. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of immunomodulator . It is also related to or classified as organic heterotricyclic compound , hydroxyisoflavone , oxacycle .
The molecule OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 is the 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. It has the role of antioxidant . It has the role of non-steroidal anti-inflammatory drug . It has the role of serine proteinase inhibitor . It has the role of EC 1.1.1.21 (aldehyde reductase) inhibitor . It has the role of peripheral nervous system drug . It has the role of plant metabolite . Its functional parent is trans-caffeic acid . It is a conjugate acid of rosmarinate .    It is also related to or classified as carboxylic ester  . It is also related to or classified as monocarboxylic acid , phenylpropanoid , polyphenol .
The molecule C1=CC=C(C=C1)[As]=O is an arsine oxide derived from phenylarsine. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor, an apoptosis inducer and an antineoplastic agent.
The molecule CN(C)CCC[C@]1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. It is a conjugate base of a (R)-citalopram(1+). It is an enantiomer of an escitalopram.
The molecule C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O C1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O)O is A beta-D-glucan in which six D-glucose residues are connected by beta(1->3) linkages.  It is also related to or classified as beta-D-glucan  . It is also related to or classified as glucohexaose .
The molecule O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC[C@@H]1[C@H](CCCCCCCC)O1)=O O[C@@H](COP(=O)(OCC[N+](C)(C)C)[O-])COC(CCCCCCC[C@@H]1[C@H](CCCCCCCC)O1)=O is an lysophosphatidylcholine derived from epoxidation across the double bond of 1-O-oleoyl-sn-glycero-3-phosphocholine.  It is also related to or classified as 1-O-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine 18:0  . It is also related to or classified as oxidized 1-acyl-sn-glycero-3-phosphocholine zwitterion .
The molecule CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP([O-])(=O)OP([O-])([O-])=O is trianion of geranylgeranyl diphosphate arising from deprotonation of the three acidic OH groups of the diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule CCCC(SC[C@@H](C(NCC([O-])=O)=O)[NH3+])(C)CCO CCCC(SC[C@@H](C(NCC([O-])=O)=O)[NH3+])(C)CCO is an S-conjugate L-cysteinylglycine zwitterion substituted by a (1-hydroxy-3-methylhexan-3-yl) group; major species at pH 7.3. It is also related to or classified as S-substituted L-cysteinylglycine zwitterion  .
The molecule CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)cc(OCC(O)=O)c4c3C2=O CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)cc(OCC(O)=O)c4c3C2=O is rifamycin B. It is a conjugate acid of rifamycin B(2-) .  It is also related to or classified as carboxylic acid  .  It is also related to or classified as acetate ester  . It is also related to or classified as rifamycins , organic heterotetracyclic compound .
The molecule [O-]C(=O)CC(=N)C([O-])=O [O-]C(=O)CC(=N)C([O-])=O is dicarboxylate anion arising from deprotonation of both carboxylic acid groups of iminoaspartic acid. It is also related to or classified as C4-dicarboxylate  . It is also related to or classified as dicarboxylic acid dianion  .
The molecule O=C1NC(C(=O)O)=CC2=C([C@@H]1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25 O=C1NC(C(=O)O)=CC2=C([C@@H]1C=3C4=C(C=CC=C4)NC3)NC=5C=CC=CC25 is Chromoazepinone C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC1=C(N=CN1)CCN is an aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring. It has a role as a metabolite and a histamine agonist. It is a member of imidazoles and an aralkylamino compound. It derives from a histamine.
The molecule C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)SC2=CC=CC=C2 is a proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-2-methyl-3-sulfanylpropanoyl group. The active metabolite of zofenopril. It has a role as an anticonvulsant, an apoptosis inhibitor, a cardioprotective agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor, a drug metabolite and a vasodilator agent. It is a N-acyl-L-amino acid, an aryl sulfide, a thiol and a L-proline derivative. It is a conjugate acid of a zofenoprilat(1-).
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO is A D-altrofuranose in which the carbon bearing the anomeric hydroxy group has beta configuration. It is also related to or classified as D-altrofuranose  .
The molecule [O-]C(=O)CC(=[NH2+])C([O-])=O [O-]C(=O)CC(=[NH2+])C([O-])=O is A dicarboxylic acid monoanion that is the conjugate base of iminoaspartic acid  and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate acid of iminoaspartate . It is also related to or classified as dicarboxylic acid monoanion .
The molecule O=C1C=C[C@H]([C@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C O=C1C=C[C@H]([C@]1(O)C(=O)CCCCCCCCCCCC)OC(=O)C is 4-O-acetyl hygrophorone C12. It is also related to or classified as secondary alpha-hydroxy ketone  .
The molecule CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)O)C(=O)NC3=CC=CC=N3 is a thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 6-chloro-4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain, primarily resulting from inflammatory diseases of the joints, osteoarthritis, surgery, sciatica and other inflammations. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an antipyretic. It is a thienothiazine, a member of pyridines, a monocarboxylic acid amide, an organochlorine compound and a heteroaryl hydroxy compound.
The molecule COc1ccn(C)c(=O)c1C#N COc1ccn(C)c(=O)c1C#N is ricinine. It is also related to or classified as nitrile  . It is also related to or classified as pyridine alkaloid , pyridone .
The molecule C1C2=C(NC=3C2=CC(=CC3)Cl)[C@@H](C(=O)N)CCC1 C1C2=C(NC=3C2=CC(=CC3)Cl)[C@@H](C(=O)N)CCC1 is an organic heterotricyclic compound resulting from the formal fusion of the 2-3 bond of 5-chloroindole with the 2-3 bond of cycloheptanecarboxamide (the S enantiomer). It is a potent, cell-permeable, metabolically stable and selective inhibitor of the deacetylase SIRT1. It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It is also related to or classified as primary carboxamide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotricyclic compound , aromatic compound .
The molecule C(C=1C=CC=CC1)SC[C@@H](C([O-])=O)[NH3+] C(C=1C=CC=CC1)SC[C@@H](C([O-])=O)[NH3+] is an S-conjugate L-cysteine zwitterion substituted by a benzyl group; major species at pH 7.3. It is also related to or classified as S-aryl-L-cysteine zwitterion  .
The molecule COC1=CC(=CC(=C1O)OC)/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H](C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O is a glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue. It has a role as a metabolite. It is a dihydroxyflavone, a C-glycosyl compound, a cinnamate ester and a glycosyloxyflavone. It derives from an isovitexin and a trans-sinapic acid.
The molecule CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(F)c1 CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cccc(F)c1 is A fluorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-fluorobenzoic acid. Its functional parent is benzoyl-CoA . Its functional parent is 3-fluorobenzoic acid . It is a conjugate acid of 3-fluorobenzoyl-CoA(4-) . It is also related to or classified as fluorobenzoyl-CoA .