anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCC(=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 an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It derives from a (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoic acid. It is a conjugate acid of a (18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA(4-).
The molecule OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@H](F)[C@@H](O)[C@@H]1O is 2-deoxy-2-fluoro-D-glucopyranose. Its functional parent is D-glucopyranose . It is also related to or classified as 2-deoxy-2-fluoro-D-glucose  . It is also related to or classified as 2-deoxy-2-fluorohexopyranose  .
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=N3)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@H](CO2)C)CC3=CC=CC=N3)C)OC)C is N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)=CCOc1cc(O)c2C(=O)CC(Oc2c1CC=C(C)C)c1ccc(O)cc1O CC(C)=CCOc1cc(O)c2C(=O)CC(Oc2c1CC=C(C)C)c1ccc(O)cc1O is A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 2' and 4', a prenyl group at position 8 and a prenyloxy group at position 7. Isolated from the roots of Sophora flavescens, it exhibits cytotoxicity towards KB epidermoid carcinoma cell line. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as trihydroxyflavanone .
The molecule CCCCNC(=O)[C@H](C)NC(=O)C(=N/OC)\c1ccco1 CCCCNC(=O)[C@H](C)NC(=O)C(=N/OC)\c1ccco1 is A  monocarboxylic acid amide obtained by formal condensation between N-butyl-L-alaninamide and (2Z)-2-(2-furyl)-2-(methoxyimino)acetic acid. It is also related to or classified as secondary carboxamide  .  It is also related to or classified as oxime O-ether  . It is also related to or classified as furans , L-alanine derivative .
The molecule CC1C(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)C(C)C is an indane derivative in which the indane skeleton is substituted by geminal methyl groups at C-1, by single methyl groups at C-2 and C-6, by an isopropyl group at C-3 and by an acetyl group at C-6. It is a constituent of musk odorant. It has a role as an odorant receptor agonist and a fragrance. It is a member of indanes, a methyl ketone and an aromatic ketone.
The molecule C1=CN(C(=S)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O is a thiouridine in which the oxygen replaced by sulfur is that at C-2. It is a thiouridine and a nucleoside analogue.
The molecule CCCCCCCC(C(=O)O)O is a monohydroxy fatty acid that is nonanoic acid with a hydroxy group substituted at position C-2. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It derives from a nonanoic acid.
The molecule CN(\C=C\CC=C)C(=O)CCCCCCCC\C=C\[C@H](CSSC[C@H](NC(C)=O)\C=C\CCCCCCCCC(=O)N(C)\C=C\CC=C)NC(C)=O CN(\C=C\CC=C)C(=O)CCCCCCCC\C=C\[C@H](CSSC[C@H](NC(C)=O)\C=C\CCCCCCCCC(=O)N(C)\C=C\CC=C)NC(C)=O is an organic disulfide that results from the dimerization of (10E,12R)-12-(acetylamino)-N-methyl-N-[(1E)-penta-1,4-dien-1-yl]-13-sulfanyltridec-10-enamide. Isolated from Lyngbya majuscula and Schizothrix, it exhibits antineoplastic acitivity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tertiary carboxamide  .  It is also related to or classified as organic disulfide  . It is also related to or classified as acetamides .
The molecule [H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC[C@@](C)(O)C=C [H][C@@]12CCCC(C)(C)C1=CC[C@H](C)[C@@]2(C)CC[C@@](C)(O)C=C is an edaxadiene in which the carbon bearing the hydroxy group has R configuration. It is also related to or classified as edaxadiene  .
The molecule CCC1CC(=O)N1 CCC1CC(=O)N1 is A beta-lactam that is azetidin-2-one substituted by an ethyl group at position 4. It is also related to or classified as beta-lactam  .
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@@H](N)O is a tryptamine derivative in which a hydroxy group attached to the same carbon as the primary amino group (the S-enantiomer).
The molecule C1=NC(=C(N1)C[C@@H](C(=O)O)N)S(=O)C[C@@H](C(=O)O)N is a L-cysteine derivative that is L-cysteine sulfoxide in which the hydrogen attached to sulfur is replaced by a 5-L-histidyl group. It has a role as a marine metabolite. It is a sulfoxide, a L-cysteine derivative, a L-histidine derivative and a non-proteinogenic L-alpha-amino acid. It is a tautomer of a S-(5-histidyl)cysteine sulfoxide dizwitterion.
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3F)C(=O)N(C[C@@H]1OC)C)C)C(=O)C is 1-[(4S,7R,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(2-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+] is an organic sodium salt resulting from the replacement of the proton from the carboxy group of (3S,5R)-fluvastatin by a sodium ion. It is an organic sodium salt and a statin (synthetic). It contains a (3S,5R)-fluvastatin(1-). It is an enantiomer of a (3R,5S)-fluvastatin sodium.
The molecule [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)CC[C@@H](CC)C(C)C)O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H]1O [H][C@@]1(O[C@H]2CC[C@@]3(C)C(C2)=CC[C@]2([H])[C@]3([H])CC[C@]3(C)[C@]([H])(CC[C@@]23[H])[C@H](C)CC[C@@H](CC)C(C)C)O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H]1O is A steroid saponin that is beta-sitosterol substituted by a 3-O-hexacosanoyl-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Acer okamotoanum, it exhibits anti-complement activity. It has the role of plant metabolite . Its functional parent is sitosterol . Its functional parent is hexacosanoic acid . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as steroid saponin , monosaccharide derivative .
The molecule [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=C[C@@H](O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C [H][C@@]12CC(C)(C)CC[C@]1(C)CC[C@]1(C)C2=C[C@@H](O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C is the pentacyclic triterpenoid that is the 11alpha-hydroxy derivative of beta-amyrin. Its functional parent is beta-amyrin .  It is also related to or classified as secondary alcohol  . It is also related to or classified as pentacyclic triterpenoid .
The molecule [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])[C@@H](C(CC[C@]13CO3)=O)O [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])[C@@H](C(CC[C@]13CO3)=O)O is 5-dehydro-6-demethoxy-6-hydroxyfumagillol.   It is also related to or classified as secondary alcohol  . It is also related to or classified as spiro-epoxide , sesquiterpenoid , cyclic ketone .
The molecule CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C is a hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has a role as an antineoplastic agent, a matrix metalloproteinase inhibitor and an EC 3.4.24.35 (gelatinase B) inhibitor. It is a hydroxamic acid, a member of thiomorpholines, a sulfonamide, an aromatic ether and a member of pyridines. It is a conjugate base of a prinomastat(1+).
The molecule CC(C)NCC(COC1=CC=CC2=C1C=CN2)O is a member of the class of indols which is the 2-hydroxy-3-(isopropylamino)propyl ether derivative of 1H-indol-4-ol. It has a role as a serotonergic antagonist, a beta-adrenergic antagonist, an antihypertensive agent, a vasodilator agent and an antiglaucoma drug. It is a member of indoles and a secondary amine.
The molecule [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])CC(CC[C@]13CO3)=O [C@]1([C@]2(O[C@@]2(CC=C(C)C)[H])C)([H])CC(CC[C@]13CO3)=O is 5-dehydro-6-demethoxyfumagillol. It is also related to or classified as spiro-epoxide , sesquiterpenoid , cyclic ketone .
The molecule OC(=O)C(=O)CCCC(=O)c1ccccc1 OC(=O)C(=O)CCCC(=O)c1ccccc1 is A dioxo monocarboxylic acid consisting of 6-phenylhexanoic acid having the two oxo groups at the 2- and 6-positions. Its functional parent is hexanoic acid . It is a conjugate acid of 2,6-dioxo-6-phenylhexanoate . It is also related to or classified as dioxo monocarboxylic acid .
The molecule [H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@H]([18F])[C@@H](O)[C@H](O)[C@H](O)CO is 2-deoxy-2-((18)F)fluoro-aldehydo-D-glucose. It is also related to or classified as 2-deoxy-2-((18)F)fluoro-D-glucose  . It is also related to or classified as 2-deoxy-2-fluoro-aldehydo-D-glucose  .
The molecule CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2 is an organic thiophosphate and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an acaricide, an agrochemical and a nematicide. It derives from a 1-phenyl-1H-1,2,4-triazol-3-ol.
The molecule [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(C)O2 [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(C)O2 is A cembrane diterpenoid isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule COC(=O)CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O COC(=O)CCCCCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O is A carboxylic ester obtained by formal condensation of 9-(alpha-D-galactosyloxy)nonanoic acid and methanol. It is also related to or classified as methyl ester  . It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as monosaccharide derivative .
The molecule CCCCC/C=C/C=C/C(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@]3([C@@H]([C@H]2OC(=O)/C=C/C=C/C[C@@H](/C(=C/C=C/CC[C@@H](C)CC)/C)O)O)C4=C(CO3)C=C(C=C4O)O)CO)O)O)O is a papulacandin substituted by a (2E,4E)-deca-2,4-dienoyl chain at the O-(6') position and a (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoyl chain at the O-(3) position. It is a carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperma which shows potent antifungal activity against Candida albicans. It has a role as an antifungal agent and a metabolite. It is a papulacandin, a disaccharide derivative and an organic heterotricyclic compound. It derives from a (2E,4E)-deca-2,4-dienoic acid and an alpha-lactose.
The molecule CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O is a methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties. It has a role as a HIV protease inhibitor and an antineoplastic agent. It contains a nelfinavir(1+).
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)C3=CC=CC=C3 is N-[(5R,6S,9S)-8-benzoyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12C\C(C)=C\CC\C(C)=C\CC[C@@]3(CO)O[C@@]3([H])C[C@]1([H])C(=C)C(=O)O2 [H][C@]12C\C(C)=C\CC\C(C)=C\CC[C@@]3(CO)O[C@@]3([H])C[C@]1([H])C(=C)C(=O)O2 is A cembrane diterpenoid isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as gamma-lactone  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule O=C1CCC(=O)N1OC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O O=C1CCC(=O)N1OC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O is an N-hydroxysuccinimide ester derived from 4-(N-maleimidomethyl)cyclohexane-1-carboxylic acid. It is also related to or classified as N-hydroxysuccinimide ester  . It is also related to or classified as maleimides .
The molecule CCOC1=CC=CC=C1O is an aromatic ether that is catechol in which one of the hydroxy groups has been alkylated to give the corresponding ethyl ether. A low-melting (20-25 ℃), high-boiling (216-217 ℃) smoke flavour compound. It has a role as a flavouring agent. It is an aromatic ether, a volatile organic compound and a member of phenols. It derives from a catechol.
The molecule OCC(Cl)(Cl)Cl OCC(Cl)(Cl)Cl is 2,2,2-trichloroethanol. It has the role of mouse metabolite . It is also related to or classified as chloroethanol .
The molecule CCCCCC1=C(C(=CC(=C1)O)[O-])C(=O)O is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3. It is a conjugate base of an olivetolic acid.
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H]2[C@@H](O)[C@H](O)[C@H](OC2O)CO)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@H]2[C@@H](O)[C@H](O)[C@H](OC2O)CO)CO)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO is A mannotriose consisting of three D-mannose units joined by sequential beta-(1->2)- and alpha-(1->2)-linkages. It is also related to or classified as mannotriose .
The molecule C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3CC3 C[C@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC(C)C)C(=O)N(C[C@H]1OC)C)C)CC3CC3 is 1-[(4S,7S,8S)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2 [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2 is A cembrane diterpenoid that is an epimer of sinularolide B at C-3. Isolated from Sinularia gibberosa and has been found to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule CC(C)C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 CC(C)C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 is coumarin carrying a methyl group at C-4 and a succinyl-leucyl-tryrosyl side-chain at C-7. It has the role of peptidomimetic . It is also related to or classified as coumarins .
The molecule CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC is an imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor. It has a role as an antineoplastic agent, a mTOR inhibitor and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is an imidazoquinoline, a N-arylpiperazine, a member of pyridines, an organofluorine compound and an aromatic ether. It is a conjugate base of a BGT226(1+).
The molecule OC[C@H]1O[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O is A linear trisaccharide consisting of three D-mannose units joined by beta-(1->2)-linkages (with alpha-configuration at the reducing-end anomeric centre). Present in the cell wall phosphomannan of Candida albicans. It has the role of epitope . It is also related to or classified as mannotriose .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34CO is a 3-oxo Delta(4)-steroid that is testosterone which is substituted by a hydroxy group at positions 19. It has a role as a mouse metabolite. It is a 19-hydroxy steroid, a 3-oxo-Delta(4) steroid and a 17beta-hydroxy steroid. It derives from a testosterone.
The molecule CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC)C)OC)C CCCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@@H]([C@@H](CN([C@@H](CO2)C)CCC)C)OC)C is N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@H]1[C@@H](O)C(NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O O[C@H]1[C@@H](O)C(NC(=N)CNC=O)O[C@@H]1COP(O)(O)=O is 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine. It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of 2-formamido-N(1)-(5-O-phosphonato-D-ribosyl)acetamidine . It is also related to or classified as N-glycosyl compound  .  It is also related to or classified as carboxamidine  . It is also related to or classified as ribose monophosphate .
The molecule [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2 [H][C@]12C[C@]3([H])C(=C)C(=O)O[C@@]3([H])[C@H](O)\C(C)=C\CC\C(C)=C\CC[C@@]1(CO)O2 is A cembrane diterpenoid isolated from Sinularia gibberosa and has been found to exhibit antineoplastic activity. It has the role of metabolite . It has the role of antineoplastic agent . It is also related to or classified as primary alcohol  . It is also related to or classified as epoxide  . It is also related to or classified as secondary alcohol  . It is also related to or classified as gamma-lactone  . It is also related to or classified as macrocycle  . It is also related to or classified as cembrane diterpenoid .
The molecule [H][C@@]12C[C@H]3[C@@H](C=O)[C@H](C)N1[C@H]1C[C@@]4([C@H](OC(C)=O)C31)c1ccccc1N=C24 [H][C@@]12C[C@H]3[C@@H](C=O)[C@H](C)N1[C@H]1C[C@@]4([C@H](OC(C)=O)C31)c1ccccc1N=C24 is an indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-formyl group in place of the 20beta-ethyl side-chain. It is also related to or classified as indole alkaloid .
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C is a steroid glucosiduronic acid having dehydroepiandrosterone as the steroid component. It has a role as a metabolite. It derives from a beta-D-glucuronic acid and a dehydroepiandrosterone.
The molecule CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OC2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)[C@@H](CCCCCCCCCCCCCCC)O)O is a mannosylinositol phosphorylceramide(1-) having a hexacosanoyl group amide-linked to a C18 sphinganine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid. It is a conjugate base of a Man-1-2-Ins-1-P-Cer(d18:0/2-OH-26:0).
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O is an amino disaccharide consisting of N-acetyl-D-glucosamine having an alpha-L-fucosyl residue attached at the 3-position. It is also related to or classified as amino disaccharide , glucosamine oligosaccharide .
The molecule CC(C)=CCc1cc(O)c(C)c(C)c1O CC(C)=CCc1cc(O)c(C)c(C)c1O is A plastoquinol in which a prenyl group is attached to position 5 of 2,3-dimethylhydroquinone. It is also related to or classified as plastoquinol .
The molecule CNCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O CNCc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O is A monosaccharide derivative that is 1,4-dihydroxybenzene substituted by a (methylamino)methyl group at position 6 and a beta-D-glucopyranosyloxy residue at position 2. Isolated from Anagallis monelli, it exhibits antimutagenic and antioxidant activities. It has the role of antioxidant . It has the role of metabolite . It has the role of antimutagen . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as hydroquinones  . It is also related to or classified as secondary amino compound , monosaccharide derivative .
The molecule [H][C@@]12C[C@H]3[C@@H](CO)[C@H](C)N1[C@H]1C[C@@]4([C@H](OC(C)=O)C31)c1ccccc1N=C24 [H][C@@]12C[C@H]3[C@@H](CO)[C@H](C)N1[C@H]1C[C@@]4([C@H](OC(C)=O)C31)c1ccccc1N=C24 is an indole alkaloid having a ajmalan-type skeleton and characterised by a 17alpha-acetoxy group, a 21beta-methyl group, loss of the 1-methyl group with associated unsaturation at N(1)=C(2), and a 20alpha-hydroxymethyl group in place of the 20beta-ethyl side-chain. It is also related to or classified as indole alkaloid .
The molecule OC[C@H]1OC(O)[C@@H](F)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@@H](F)[C@@H](O)[C@@H]1O is 2-deoxy-2-fluoro-D-mannopyranose. Its functional parent is D-mannopyranose . It is also related to or classified as 2-deoxy-2-fluorohexopyranose  .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C=C\\C(CCC(=O)O)O is a hydroxydocosahexaenoic acid that consists of 5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 4-hydroxy substituent. It has a role as a metabolite.
The molecule C1=CC=C(C(=C1)C(=O)O)C(=O)O is a benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. It has a role as a human xenobiotic metabolite. It is a conjugate acid of a phthalate(1-) and a phthalate.
The molecule Cc1cc2cc(O)cc(O)c2c(C)n1 Cc1cc2cc(O)cc(O)c2c(C)n1 is isoquinoline in which the hydrogens at positions 6 and 8 are substituted by hydroxy groups, and those at positions 1 and 3 are substituted by methyl groups. It is also related to or classified as isoquinolinol .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)OC)C(=O)N(C[C@@H]1OC)C)C)C is 1-(3-methoxyphenyl)-3-[(4S,7R,8R)-8-methoxy-4,5,7,10-tetramethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .