anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C is a pyrazole acaricide and a tert-butyl ester. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor. It derives from a hydride of a 1H-pyrazole.
The molecule C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O C1(C(C([C@@H](CO)OC1O)O)O)NC(C)=O is any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine. It is also related to or classified as N-acetylhexosamine  .
The molecule C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S(O)(=O)=O C=1(C=2C(=CC(=CC2)C(C)(C)C)C=CC1C(C)(C)C)S(O)(=O)=O is A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid which is substituted by tert-butyl groups at positions 2 and 6. It has the role of antitussive . It is a conjugate acid of dibunate . It is also related to or classified as naphthalenesulfonic acid .
The molecule C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@]5([C@@]4(C[C@H]([C@@H](C5(C)C)O)O)C)O)C)[C@@H]2[C@H]1C)C)C(=O)O is a pentacyclic triterpenoid that is urs-12-en-28-oic acid substituted by hydroxy groups at positions 2, 3 and 5 (the 2alpha,3beta stereoisomer). Isolated from Salvia santolinifolia, it exhibits inhibitory activity against cholinesterase. It has a role as a metabolite and an EC 3.1.1.8 (cholinesterase) inhibitor. It is a triol, a hydroxy monocarboxylic acid and a pentacyclic triterpenoid. It derives from a hydride of an ursane.
The molecule [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O.Cl [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O.Cl is A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as hydrochloride .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@]([H])([C@H](C)C[C@@H](OC(C)=O)[C@]5([H])OC5(C)C)C(=O)[C@H](O)[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@@]([H])([C@H](C)C[C@@H](OC(C)=O)[C@]5([H])OC5(C)C)C(=O)[C@H](O)[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C is 23-O-acetylshengmanol 3-O-beta-D-xylopyranoside. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N is a ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has a role as an anti-arrhythmia drug, a vasodilator agent, an analgesic, a human metabolite and a fundamental metabolite. It is a purines D-ribonucleoside and a member of adenosines. It derives from an adenine.
The molecule CC/C=C\\C/C=C\\C/C=C\\CCCC/C=C\\CCCC(=O)O is an icosatetraenoic acid in which the four double bonds have Z configuration and are located at positions 5, 11, 14 and 17. It has a role as a plant metabolite. It is a conjugate acid of a (5Z,11Z,14Z,17Z)-icosatetraenoate.
The molecule Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1[N+]([O-])=O is A monocarboxylic acid anion that is the conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid, formed ny proton loss from the carboxy group. It is also related to or classified as monocarboxylic acid anion  .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)N(C[C@H]1OC)C)C)C is 1-(4-chlorophenyl)-3-[(5S,6S,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-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 .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C is 23-epi-26-deoxyactein. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CCCCCC1C(O1)C/C=C\\C/C=C\\C/C=C\\CCCC(=O)OC(CO)CO is a 2-monoglyceride obtained by formal condensation of the carboxy group of 14,15-EET with the 2-hydroxy group of glycerol. It has a role as a human xenobiotic metabolite, a mitogen, a PPARalpha agonist and a human urinary metabolite. It is a 2-monoglyceride, an epoxide and a polyunsaturated fatty ester. It derives from a 14,15-EET.
The molecule S(OC[C@H]1O[C@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)(O)(=O)=O S(OC[C@H]1O[C@H](O)[C@H](NS(O)(=O)=O)[C@@H](O)[C@@H]1O[C@@H]2OC(=C(O)[C@H](O)[C@H]2O)C(O)=O)(O)(=O)=O is A disaccharide derivative consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose residues joined by a (1->4) glycosidic bond. It is also related to or classified as enol  . It is also related to or classified as oligosaccharide sulfate , disaccharide derivative .
The molecule CC(C)C#C is a terminal acetylenic compound that is but-1-yne substituted by a methyl group at position 3. It has a role as a metabolite. It is a terminal acetylenic compound and an alkyne. It derives from a hydride of a but-1-yne.
The molecule OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO OC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO is A heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6. It has the role of metabolite . It is also related to or classified as heptitol  .
The molecule C1=CN(C(=O)NC1=S)[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-4. It has a role as an affinity label and an antimetabolite. It is a thiouridine and a nucleoside analogue.
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(OC[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C is 26-Deoxyactein. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCC/C=C\\CCCCCCCC)O is a beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is (15Z)-tetracosenoyl. It has a role as a mouse metabolite. It derives from a (15Z)-tetracosenoic acid.
The molecule CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4 is a member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by phenyl and (3-acetamidophenyl)nitrilo groups, respectively. It is a member of quinazolines, a secondary amino compound, an aromatic amine, an acetamide and a substituted aniline.
The molecule [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O is an alpha-amino acid ester that is the methyl ester of N(gamma)-nitro-L-arginine. It has the role of EC 1.14.13.39 (nitric oxide synthase) inhibitor . It is also related to or classified as methyl ester  .  It is also related to or classified as alpha-amino acid ester  . It is also related to or classified as N-nitro compound , L-arginine derivative .
The molecule CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@H](N(C[C@H]([C@H](CN(C2=O)C)OC)C)CC3=CC=CC=N3)C is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]ethanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(O[C@H](O)[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C [H][C@]1(OC[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1CC[C@]23C[C@]22C[C@@H](OC(C)=O)[C@]4(C)[C@@]5([H])[C@H](C)C[C@]6(O[C@H](O)[C@@]7(C)O[C@@]67[H])O[C@@]5([H])C[C@@]4(C)[C@]2([H])CC[C@@]3([H])C1(C)C is Actein. It has the role of metabolite . It is also related to or classified as triterpenoid  .
The molecule CC(C)(C[C@@H](C(=O)O)N)O is the L-enantiomer of 4-hydroxyleucine. It is a 4-hydroxyleucine and a L-leucine derivative. It is an enantiomer of a 4-hydroxy-D-leucine.
The molecule CC(C)OC1=NC(=CC(=N1)OCC2=CC=CC=C2/C(=C\\OC)/C(=O)OC)C(F)(F)F is a member of pyrimidines, an organofluorine acaricide, a methyl ester, an enoate ester and an enol ether. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor.
The molecule [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO [H][C@@]1(OC(=O)[C@@H](O)[C@H]1O)[C@@H](O)CO is the furanose form of gulonolactone having L-configuration. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is L-gulonic acid . It is also related to or classified as gulonolactone .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3OC)C(=O)N(C[C@H]1OC)C)C)C(=O)C is N-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O is Argutin H. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C is the (+)-enantiomer of pilocarpine. It has a role as an antiglaucoma drug. It is an enantiomer of a (-)-pilocarpine.
The molecule CC1=CC=C(O1)/C=C\\2/CCN=C2 is a member of the class of pyrrolines that is 1-pyrroline carrying a 5-methyl-2-furanyl)methylene at position 3. It has a role as a mouse metabolite and a rat metabolite. It is a member of furans, an olefinic compound and a pyrroline.
The molecule O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1N)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO O([C@H]1[C@H](O)[C@H](O[C@@H](O)[C@@H]1N)CO)[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO is an amino disaccharide consisting of two molecules of 2-amino-2-deoxy-beta-D-glucopyranose linked by a (1->3) glycosidic bond. It is also related to or classified as amino disaccharide , aminoglycoside .
The molecule [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O is Argutin G. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CC(=CCC/C(=C/CC[C@@]1([C@H](CC=C2[C@H]1CC3=C(C=CC(=C3)C(=O)O)OC2)Br)C)/C)C is a dibenzooxepine diterpenoid that is hexahydrodibenzo[b,e]oxepine with an isolated double bond between positions 6a and 7 and is substituted by a bromo, a carboxy, a 3E-4,8-dimethylnona-3,7-dien-1-yl and a methyl group at positions 9, 2, 10 and 10 respectively (the 9S,10S,10aR stereoisomer). It is isolated from the Fijian red alga Callophycus serratus and exhibits antibacterial, antimalarial and anticancer activities. It has a role as a metabolite, an antibacterial agent, an antimalarial and an antineoplastic agent. It is a member of benzoic acids, an organobromine compound, a cyclic ether, a diterpenoid and a dibenzooxepine.
The molecule CCCCC/C=C\\C/C=C\\C=C\\C=C\\[C@@H]([C@H](CCCC(=O)O)O)O is a leukotriene compound having double bonds in the 7-, 9-, 11- and 14-positions and 5(S)- and 6(S)-hydroxy substituents. It has a role as a Saccharomyces cerevisiae metabolite. It is a leukotriene and a dihydroxyicosatetraenoic acid. It derives from an icosa-7,9,11,14-tetraenoic acid.
The molecule [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O.[H+] [C@@H](CCCNC(N[N+](=O)[O-])=N)(N)C(OC)=O.[H+] is an organic cation that is the conjugate acid of N(gamma)-nitro-L-arginine methyl ester. It is a conjugate acid of N(gamma)-nitro-L-arginine methyl ester . It is also related to or classified as organic cation .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN[C@@H](CO2)C)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN[C@@H](CO2)C)C)OC)C is N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C(C(=O)O)O)OP(=O)(O)O is a monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle. It has a role as a fundamental metabolite and an algal metabolite. It is a tetronic acid derivative and a monophosphoglyceric acid. It derives from a glyceric acid. It is a conjugate acid of a 3-phosphoglycerate(3-), a 3-phosphoglycerate(2-) and a 3-phosphoglycerate.
The molecule [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@@H](O)C[C@@H](C)[C@@]2(C)C[C@H](OO)C(=C)C=C)OC(C)=O is Argutin F. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CC(C(=O)OC)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl is the methyl ester of 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid. It is a methyl ester, an aromatic ether, an organochlorine compound, an organofluorine compound and a member of pyridines. It derives from a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC is a phosphatidylcholine 40:6 in which the acyl groups at positions 1 and 2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. It has a role as a mouse metabolite. It derives from an octadecanoic acid and an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
The molecule [H]C(=O)N(CC1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O [H]C(=O)N(CC1CNC2=C(N1)C(=O)NC(N)=N2)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O is dianion of 10-formyltetrahydrofolic acid arising from deprotonation of both carboxylic acid functions. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as dicarboxylic acid dianion  .
The molecule CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C CCCN1C[C@@H]([C@@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)COC)OC[C@@H]1C)C)OC)C is 2-methoxy-N-[(5S,6S,9S)-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]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCN1C(=O)C=CC1=O CCN1C(=O)C=CC1=O is A member of the class of  maleimides that is the N-ethyl derivative of maleimide. It has the role of anticoronaviral agent . It has the role of EC 2.1.1.122 [(S)-tetrahydroprotoberberine N-methyltransferase] inhibitor . It has the role of EC 2.7.1.1 (hexokinase) inhibitor . It has the role of EC 1.3.1.8 [acyl-CoA dehydrogenase (NADP(+))] inhibitor . Its functional parent is maleimide . It is also related to or classified as maleimides .
The molecule [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13C[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13C[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O is Argutin E. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CC(C)C(=C)CC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O is a tricyclic triterpenoid isolated from Poria cocos. It has a role as a fungal metabolite. It is a dicarboxylic acid, a secondary alcohol and a tricyclic triterpenoid.
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)C(=O)NC(C)C 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)C(=O)NC(C)C is (4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-[[oxo-(propan-2-ylamino)methyl]amino]-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CN2CC3=CCO[C@H]([C@@H]4[C@H]3C[C@H]2[C@@]15[C@H]4NC6=CC=CC=C56)O is a monoterpenoid indole alkaloid with formula C19H22N2O2, isolated from several species of Strychnos. It has a role as a plant metabolite. It is a monoterpenoid indole alkaloid, a tertiary amino compound, a primary alcohol and an organic heterohexacyclic compound.
The molecule OC(=O)[C@]1(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 OC(=O)[C@]1(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](C1)OC(=O)\C=C\c1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c(O)c1 is A cinnamate ester obtained by the formal condensation of hydroxy groups at positions 1, 3, 4 and 5 of (-)-quinic acid with the carboxy group of four molecules of trans-caffeic acid respectively. It has the role of plant metabolite . Its functional parent is trans-caffeic acid . Its functional parent is (-)-quinic acid . It is also related to or classified as cinnamate ester .
The molecule [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](OC(=O)\C=C/C=C/CCCCC)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O is Argutin D. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CSC[C@@H]1[C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@H]([C@H]2O)O)O[C@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC[C@@H]4[C@H]([C@@H]([C@@H](O4)O[C@H]5[C@@H]([C@H](O[C@@H]5OC[C@@H]6[C@H]([C@@H]([C@H](O6)OC[C@@H]7[C@H]([C@@H]([C@H](O7)O)O)O)O)O)CO)O)O)O)CO)O)O)CO)O)O is a heptasaccharide derivative composed of a 5-deoxy-5-(methylsulfanyl)xylofuranose, two mannopyranose and four arabinofuranose residues in an alpha(1->4), alpha(1->2), alpha(1->5), beta(1->2), alpha(1->5) and alpha(1->5) linear sequence.
The molecule C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)N is a tripeptide composed of L-lysine, L-serine and L-tryptophan joined in sequence by peptide linkages. It derives from a L-lysine, a L-serine and a L-tryptophan.
The molecule NC(=O)NC1=C(SC(=C1)C1=CC(F)=CC=C1)C(=O)N[C@H]1CCCNC1 NC(=O)NC1=C(SC(=C1)C1=CC(F)=CC=C1)C(=O)N[C@H]1CCCNC1 is A member of the class of thiophenes that is thiophene substituted by N-[(3S)-piperidin-3-yl]aminocarbonyl, carbamoylamino, and 3-fluorophenyl groups at positions 2, 3 and 5, respectively. It is a potent ATP-competitive checkpoint kinase inhibitor (IC50 = 5 nM for Chk1). It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as piperidines , thiophenes , ureas , aromatic amide .
The molecule O=C1N[C@]2(C(=O)O[C@]2([C@@H]1C)C)[C@@H](O)[C@@H]3C=CCCC3 O=C1N[C@]2(C(=O)O[C@]2([C@@H]1C)C)[C@@H](O)[C@@H]3C=CCCC3 is Salinosporamide G. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CN2CCC1C(C2)O is quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group. It is a member of quinuclidines, a tertiary amine and a secondary alcohol.
The molecule [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O [H][C@@]12C[C@@H](OC(=O)\C=C/C=C/CCCCC)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](O)[C@H](O)[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(C)=O is Argutin C. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule C1=CC(=CC=C1CP(=O)(NC2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)CCCC(=O)O is a dicarboxylic acid monoamide obtained by formal condensation of the anilino group of P-(4-aminobenzyl)-N-(4-nitrophenyl)phosphonamidic acid with one of the carboxy groups of glutaric acid. It has a role as a hapten. It is an organic phosphoramidate, a C-nitro compound and a dicarboxylic acid monoamide. It derives from a 4-nitroaniline and a glutaric acid.
The molecule O([C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO O([C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO is an amino disaccharide consisting of a 2-acetamido-2-deoxy-alpha-D-galactopyranosyl residue and a 2-acetamido-2-deoxy-beta-D-galactopyranosyl residue joined by a (1->4) glycosidic bond. It is also related to or classified as acetamides , amino disaccharide .
The molecule C(C[C@@H](C(=O)[O-])[NH3+])CNC(=O)N is zwitterionic form of L-citrulline having an anionic carboxy group and a protonated amino group; major species at pH 7.3. It has a role as a human metabolite, an Escherichia coli metabolite, a plant metabolite and a Daphnia magna metabolite. It is a tautomer of a L-citrulline.
The molecule B(OCCN)(C1=CC=CC=C1)C2=CC=CC=C2 B(OCCN)(C1=CC=CC=C1)C2=CC=CC=C2 is an organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group. It has the role of IP3 receptor antagonist . It has the role of calcium channel blocker . It has the role of potassium channel opener . It is also related to or classified as organoboron compound , primary amino compound .
The molecule CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C)CO CCCC#CC1=CC=C(C=C1)[C@@H]2[C@@H](N([C@H]2C#N)S(=O)(=O)C)CO is (2R,3S,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(=O)\C=C/C=C/CCCCC)OC(C)=O [H][C@@]12C[C@@H](O)C=C3[C@H](O[C@@H](OC(C)=O)[C@@]13[C@H](C[C@@H](C)[C@@]2(C)C\C=C(/C)C=C)OC(=O)\C=C/C=C/CCCCC)OC(C)=O is Argutin B. It has the role of metabolite . It is also related to or classified as naphthofuran .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO is an ultra-long-chain primary fatty alcohol that is triacontane in which one of the terminal methyl hydrogens is replaced by a hydroxy group. It is a fatty alcohol 30:0 and an ultra-long-chain primary fatty alcohol.
The molecule C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C is a cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid. It has a role as a human metabolite. It is a cholesteryl ester and an acetate ester.
The molecule Cl.CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 Cl.CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1 is A hydrochloride obtained by reaction of (S)-fluoxetine with one equivalent of hydrochloric acid. It has the role of antidepressant . It has the role of serotonin uptake inhibitor . It is also related to or classified as hydrochloride .