anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C CCCN1C[C@@H]([C@H](CN(C(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)OC[C@@H]1C)C)OC)C is 4-fluoro-N-[(5R,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]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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(CC(CCCCCCC/C=C\CCCCCCCCCC)=O)=O)=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(CC(CCCCCCC/C=C\CCCCCCCCCC)=O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is 3-oxo-(11Z)-docos-11-enoyl-CoA(4-). Its functional parent is cetoleate . It is also related to or classified as long-chain 3-oxo-fatty acyl-CoA(4-)  . It is also related to or classified as monounsaturated fatty acyl-CoA(4-)  .
The molecule C[C@H](CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O C[C@H](CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N2C=NC3=C(N)N=CN=C23)O[C@@H]4O[C@@H](C)[C@H](O)C[C@H]4O is coA ester of bkas#10. It is also related to or classified as organic molecular entity .
The molecule C[C@H](CCC(=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@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](CC7=CC(=O)CC[C@]67C)O)C is a steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3. It is a steroidal acyl-CoA(4-) and a 3-oxo bile acid CoA thioester(4-). It is an enantiomer of a 7beta-hydroxy-3-oxochol-4-en-24-oyl-CoA(4-).
The molecule C1=CC(=C(C(=C1)Cl)NC2=C(C=C(C=C2)OCCOCC=O)CC(=O)O)Cl is a member of the class of phenylacetic acids that is phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position and a 2-(2-oxoethoxy)ethoxy group at the 5-position. It has a role as an allergen. It is a dichlorobenzene and a member of phenylacetic acids. It derives from a diphenylamine and a phenylacetic acid.
The molecule CCCCCCCCC(C(=O)O)O is a medium-chain fatty acid that is decanoic acid substituted at position 2 by a hydroxy group. It is a 2-hydroxy fatty acid and a medium-chain fatty acid. It derives from a decanoic acid. It is a conjugate acid of a 2-hydroxydecanoate.
The molecule C1=CC=C([C@]2(C1=NC=3C(=CC=CC3N2)C(=O)O)[H])C(=O)O C1=CC=C([C@]2(C1=NC=3C(=CC=CC3N2)C(=O)O)[H])C(=O)O is A member of the class of phenazines that is (5aS)-5,5a-dihydrophenazine substituted at positions 1 and 6 by carboxy groups. It has the role of bacterial metabolite . It is a conjugate acid of (5aS)-5,5a-dihydrophenazine-1,6-dicarboxylate . It is also related to or classified as amino dicarboxylic acid , phenazines .
The molecule O[C@@H](CC(=O)C(O)=O)[C@@H](O)C(O)=O O[C@@H](CC(=O)C(O)=O)[C@@H](O)C(O)=O is an oxo dicarboxylic acid that is derived from 4-deoxy-D-glucaric acid by oxidation of the hydroxy group at position 5 to give the corresponding ketone. Its functional parent is D-glucaric acid . It is a conjugate acid of 5-dehydro-4-deoxy-D-glucarate(1-) .   It is also related to or classified as 2-hydroxy carboxylic acid  . It is also related to or classified as oxo dicarboxylic acid , 2-hydroxydicarboxylic acid , 3-hydroxy carboxylic acid .
The molecule O[C@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H](OP([O-])([O-])=O)[C@@H]1O O[C@H]1[C@H](O)[C@@H](COP([O-])([O-])=O)O[C@H](OP([O-])([O-])=O)[C@@H]1O is A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of alpha-D-glucose 1,6-bisphosphate; major species at pH 7.3. It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H](CCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCCCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#10. It is also related to or classified as organic molecular entity .
The molecule COC1=CC=C(C=C1)N is a substituted aniline that is aniline in which the hydrogen para to the amino group has been replaced by a methoxy group. It is used as a reagent for the detection of oxidation products such as aldehydes and ketones in fats and oils. It has a role as a reagent and a genotoxin. It is a member of methoxybenzenes, a substituted aniline and a primary amino compound.
The molecule CCCCCCCC[C@@H](/C=C/CCCCCCC(=O)[O-])O is an unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group. It is a hydroxy fatty acid anion, a long-chain fatty acid anion and an unsaturated fatty acid anion. It is a conjugate base of an (8E,10S)-10-hydroxy-8-octadecenoic acid.
The molecule C(CC[NH3+])C[C@H](C(=O)[O-])[NH3+] is an optically active form of lysinium having D-configuration. It has a role as a bacterial metabolite and a fungal metabolite. It is a conjugate base of a D-lysinium(2+). It is a conjugate acid of a D-lysine. It is an enantiomer of a L-lysinium(1+).
The molecule C1=CC(Cl)=NC=C1CN2CCN3[C@@]4(CC[C@]([H])(C(=C23)[N+]([O-])=O)O4)[H] C1=CC(Cl)=NC=C1CN2CCN3[C@@]4(CC[C@]([H])(C(=C23)[N+]([O-])=O)O4)[H] is cycloxaprid. It has the role of neonicotinoid insectide . It is also related to or classified as organic molecular entity .
The molecule [H][C@@]12C[C@]3([H])C(C)=CCC[C@@]4(C)CC[C@@](C)([C@H](C)CC1)[C@]2([H])[C@@]34[H] [H][C@@]12C[C@]3([H])C(C)=CCC[C@@]4(C)CC[C@@](C)([C@H](C)CC1)[C@]2([H])[C@@]34[H] is A diterpene that is produced by a diterpene synthase from Cephalotaxus sinensis. It has the role of plant metabolite .  It is also related to or classified as diterpene  . It is also related to or classified as carbotetracyclic compound , polycyclic olefin .
The molecule CCCCC[C@@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O CCCCC[C@@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O is A 14,15-EET in which the epoxy moiety has 14R,15S-configuration. It is a conjugate acid of (14R,15S)-EET(1-) . It is also related to or classified as 14,15-EET  .
The molecule Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 Nc1nc(=O)n(cc1CO)[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1 is dianion of 5-hydroxymethyldeoxycytidylic acid arising from deprotonation of the phosphate OH groups; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
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)CC3CCCCC3 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)CC3CCCCC3 is N-[(3S,9S,10R)-9-[[cyclohexylmethyl(methyl)amino]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]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O is A fructofuranose that has D configuration. It is also related to or classified as D-fructose  . It is also related to or classified as fructofuranose  .
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)CC3CCCC3)C CCS(=O)(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@H]([C@@H](CN(C2=O)C)OC)C)CC3CCCC3)C is N-[(4S,7R,8S)-5-(cyclopentylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-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 O[C@H](CCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 O[C@H](CCCCC)CC(=O)CCC1=CC(OC)=C(O)C=C1 is (5R)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-hydroxy ketone .
The molecule C[C@H](CCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O C[C@H](CCC(=O)CC([O-])=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O is conjugate base of bkas#1. It is also related to or classified as organic molecular entity .
The molecule CC/C=C\\C[C@@H](/C=C\\C=C\\C=C\\[C@@H](C/C=C\\CCCCCC(=O)O)O)O is a dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,11E,13E,15Z,19Z)-docosapentaenoic acid in which the hydrogens at the 10 pro-R and 17 pro-S positions have been replaced by hydroxy groups. It is an intermediate of specialized proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised pro-resolving mediator. It is a conjugate acid of a (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoate.
The molecule CC(C)C/C(=N/OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O is an alkylglucosinolate that is the conjugate base of isobutylglucosinolic acid. It is a conjugate base of an isobutylglucosinolic acid.
The molecule CC1=CC=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC=CC=C3)C(=O)O)C(C)C is an amido thiophene-2-carboxylic acid derivative used as an inhibitor of HCV (Hepatitis C Virus) RNA polymerase. It has a role as an EC 2.7.7.6 (RNA polymerase) inhibitor. It is a member of thiophenes and a monocarboxylic acid amide.
The molecule CC(NC(C)C)C.OC(C(Cl)Cl)=O CC(NC(C)C)C.OC(C(Cl)Cl)=O is Diisopropylamine dichloroacetate. It is also related to or classified as organohalogen compound  . It is also related to or classified as carboxylic acid  .
The molecule CC(C)C(=C)C\C=C(\C)C(O)=O CC(C)C(=C)C\C=C(\C)C(O)=O is A 2,6-dimethyl-5-methylenehept-2-enoic acid having Z-configuration. It is also related to or classified as 2,6-dimethyl-5-methylenehept-2-enoic acid  .
The molecule CCC1=CC=C(\C=C2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)C=C1 CCC1=CC=C(\C=C2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)C=C1 is A thiazolidinone that is 2-sulfanylidene-1,3-thiazolidin-4-one substituted by 3-{[3-(morpholin-4-yl)propyl]amino}-3-oxopropyl and 4-ethylbenzylidene groups at positions 3 and 5, respectively. It is a ferroptosis inducer. It has the role of ferroptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as benzenes , morpholines , thiazolidinone , tertiary amino compound .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=CC=C3F is N-[(5R,6R,9R)-8-[(2-fluorophenyl)methyl]-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-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@H]([C@H]([C@@H](C1(O)CN[C@@H](CC2=CC=CC=C2)C(O)=O)O)O)CO O1[C@@H]([C@H]([C@@H](C1(O)CN[C@@H](CC2=CC=CC=C2)C(O)=O)O)O)CO is an L-phenylalanine derivative in which one of the amino hydrogens of L-phenylalanine has been replaced by a 1-fructosyl group. It has the role of Camellia sinensis metabolite . Its functional parent is D-fructofuranose . It is also related to or classified as monosaccharide derivative , L-phenylalanine derivative .
The molecule C[C@@H]1O[C@@H](OCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is conjugate base of bhos#9-CoA. It is also related to or classified as organic molecular entity .
The molecule CCOC(=O)CCC(C(=O)OCC)O is a diester obtained by the formal condensation of both the carboy groups of 2-hydroxyglutaric acid with two molecules of ethanol respectively. It has a role as a metabolite. It is a diester and a member of dicarboxylic acids and O-substituted derivatives. It derives from a 2-hydroxyglutaric acid.
The molecule C/C=C(\\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)OC(=O)C is a limonoid with insecticidal activity isolated from Azadirachta indica. It has a role as an insect growth regulator, an antifeedant and a plant metabolite. It is an acetate ester, a member of furans, a limonoid, an organic heteropentacyclic compound and a methyl ester. It derives from a tiglic acid.
The molecule C[NH+]1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)OC)OC is an organic cation that is the conjugate acid of (R)-laudanosine, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a (R)-laudanosine.
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)C3CCCCC3 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)C3CCCCC3 is N-[[(3S,9S,10R)-12-[(2S)-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-methylcyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO [H]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO is the open chain form of D-glucose. It is also related to or classified as D-glucose  . It is also related to or classified as aldehydo-glucose  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NC(=O)C)C(=O)N(C[C@H]1OC)C)C)CC3=CC=CC=N3 is N-[(4S,7R,8S)-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]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)\N=C(\[C@]1(CCC[C@@]1([H])/N=C/2\C(=CN=C(NC3=CC=C(C=C3)C(N(C)C4CCN(C)CC4)=O)N2)Cl)[H])/O CC(C)\N=C(\[C@]1(CCC[C@@]1([H])/N=C/2\C(=CN=C(NC3=CC=C(C=C3)C(N(C)C4CCN(C)CC4)=O)N2)Cl)[H])/O is BI-831266. It has the role of inhibitor . It is also related to or classified as organic molecular entity .
The molecule C[C@@H]1O[C@@H](OCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N3C=NC4=C(N)N=CN=C34)[C@H](O)C[C@H]1O is coA ester of bhos#9. It is also related to or classified as organic molecular entity .
The molecule C1[C@H]([C@@H]([C@@H](C=C1C(=O)[O-])O)O)O is a cyclohexenecarboxylate that is the conjugate base of shikimic acid. It has a role as an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite and a plant metabolite. It is a cyclohexenecarboxylate and a hydroxy monocarboxylic acid anion. It is a conjugate base of a shikimic acid.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a 1-phosphatidyl-1D-myo-inositol 4-phosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It derives from an octadecanoic acid and an arachidonic acid. It is a conjugate acid of a 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate(3-).
The molecule CC1=NC2=C(N1CC3=NC=CN=C3)C(=O)C4=CC=CC=C4C2=O is a naphthoimidazole that is 1H-naphtho[2,3-d]imidazole-4,9-dione which is substituted at positions 1 by pyrazin-2-ylmethyl and methyl groups, respectively. It is a naphthoimidazole, a member of p-quinones and a member of pyrazines.
The molecule Oc1ccc(cc1O)\C=C1/Oc2cc([O-])cc(O)c2C1=O Oc1ccc(cc1O)\C=C1/Oc2cc([O-])cc(O)c2C1=O is an organic anion that is the conjugate base of aureusidin, arising from selective deprotonation of the hydroxy group at position 6 of the benzofuran moiety; major species at pH 7.3. It is also related to or classified as organic anion .
The molecule C1=CC=C(C2=C1NC=3C(=CC=CC3N2)C(=O)O)C(=O)O C1=CC=C(C2=C1NC=3C(=CC=CC3N2)C(=O)O)C(=O)O is A member of the class of phenazines that is 5,10-dihydrophenazine substituted at positions 1 and 6 by carboxy groups. It is a conjugate acid of 5,10-dihydrophenazine-1,6-dicarboxylate . It is also related to or classified as amino dicarboxylic acid , phenazines .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCC2=CC=C(C=C2)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a glycophytoceramide having a 4-O-(4-fluorobenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. It derives from an alpha-D-galactose.
The molecule COC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl COC(=O)C(Cc1ccc2nc(ccc2c1)-c1c(Cl)cccc1Cl)NC(=O)c1c(Cl)cccc1Cl is A non-proteinogenic amino acid derivative that is the methyl ester of N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine. Its functional parent is N-(2,6-dichlorobenzoyl)-3-[2-(2,6-dichlorophenyl)-6-quinolyl]alanine . Its functional parent is methyl 3-[2-(2,6-dichlorophenyl)quinolin-6-yl]alaninate . It is also related to or classified as dichlorobenzene  . It is also related to or classified as methyl ester  . It is also related to or classified as quinolines , non-proteinogenic amino acid derivative .
The molecule N[C@H](CC(=O)c1ccccc1N)C(O)=O N[C@H](CC(=O)c1ccccc1N)C(O)=O is A kynurenine that has D configuration. It has the role of human metabolite . It is also related to or classified as D-alpha-amino acid  . It is also related to or classified as kynurenine  .
The molecule OC(=O)c1cc(O)c(O)c(O)c1 OC(=O)c1cc(O)c(O)c(O)c1 is A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has the role of geroprotector . It has the role of antioxidant . It has the role of antineoplastic agent . It has the role of cyclooxygenase 2 inhibitor . It has the role of EC 1.13.11.33 (arachidonate 15-lipoxygenase) inhibitor . It has the role of apoptosis inducer . It has the role of astringent . It has the role of plant metabolite . It has the role of human xenobiotic metabolite . It is a conjugate acid of gallate . It is also related to or classified as trihydroxybenzoic acid .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)O[C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@H]5O)CO)O)NC(=O)C)CO)O)CO)O)O)O)O is a linear amino pentasaccharide comprising alpha-sialyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, beta-D-galactosyl and N-acetyl-beta-D-glucosamine residues in a (2->6), (1->4), (1->3) and (1->3) sequence. It has a role as an epitope. It is an amino pentasaccharide and a glucosamine oligosaccharide.
The molecule C[C@@H]1O[C@@H](OCC[C@@H](O)CC([O-])=O)[C@H](O)C[C@H]1O C[C@@H]1O[C@@H](OCC[C@@H](O)CC([O-])=O)[C@H](O)C[C@H]1O is conjugate base of bhos#9. It is also related to or classified as organic molecular entity .
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](CO)O[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)C(=O)O)O)(C(=O)O)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@@H]4O[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)NC(=O)C)CO)O[C@@H]7[C@H](O[C@H]([C@@H]([C@H]7O)O)O)CO)O)O is a branched amino heptasaccharide consisting of a linear tetrasaccharide of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and beta-D-glucose residues linked sequentially (1->3), (1->4) and (1->4), to the galactose residue proximal to the reducing end is also linked (2->3) an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl trisaccharide side-chain. The carbohydrate moiety of ganglioside GT1c. It is an amino heptasaccharide and a galactosamine oligosaccharide.
The molecule CC1=CC(=C(C=C1O)[NH2+]C2=NC=NC3=C2C=CC(=C3)OCC4=CC=CC=C4)F is an organic cation obtained by protonation of the secondary amino function of ZM 323881. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of a ZM 323881.
The molecule CC(=O)O[C@@H]1[C@H]2CC[C@@H]3[C@]1(C[C@H]([C@]4([C@H]([C@]3(C)O)C[C@@H](C4(C)C)O)O)O)C[C@@]2(C)O is a tetracyclic diterpenoid that is grayanotoxane in which the pro-R hydrogen at position 14 is substituted by an acetoxy group and in which the 3beta-, 5-, 6beta-, 10-, and 16- positions are substituted by hydroxy groups. It has a role as a phytotoxin, an antihypertensive agent, a metabolite and a neuromuscular agent. It is a tetracyclic diterpenoid, a pentol, a tertiary alcohol, a secondary alcohol and an acetate ester. It derives from a hydride of a grayanotoxane.
The molecule COC1=C(NC2=NC=C(Cl)C(=N2)C2=CNC3=CC=CC=C23)C=CC(=C1)N1CCC(N)CC1 COC1=C(NC2=NC=C(Cl)C(=N2)C2=CNC3=CC=CC=C23)C=CC(=C1)N1CCC(N)CC1 is A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK. It has the role of autophagy inducer . It has the role of antineoplastic agent . It has the role of EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor . It has the role of apoptosis inducer .   It is also related to or classified as organochlorine compound  . It is also related to or classified as indoles , monomethoxybenzene , aminopyrimidine , aminopiperidine , secondary amino compound , tertiary amino compound .
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=NC=CS3)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=NC=CS3)C is N-[(4R,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-thiazolylmethyl)-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 C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2OCCCCCCN)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2O[C@H]2[C@H](O)[C@H](O)[C@H](C)O[C@H]2OCCCCCCN)[C@@H](O)[C@H](O)[C@@H]1O is A linear tetrasaccharide derivative that is the 6-aminohexyl glycoside of the tetrasaccharide alpha-L-fucopyranosyl-(1->2)-alpha-L-fucopyranosyl-(1->2)-alpha-L-fucopyranosyl-(1->2)-alpha-L-fucopyranose. It is also related to or classified as glycoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule C(=O)([C@H](OC(C=1C=C(C(=C(C1)O)O)O)=O)[C@@H](O)[C@H](O)[C@H](O)CO)[H] C(=O)([C@H](OC(C=1C=C(C(=C(C1)O)O)O)=O)[C@@H](O)[C@H](O)[C@H](O)CO)[H] is an O-acyl carbohydrate obtained by formal condensation of the carboxy group of gallic acid with the 2-hydroxy group of D-glucose. It has the role of Camellia sinensis metabolite . Its functional parent is gallic acid . Its functional parent is aldehydo-D-glucose . It is also related to or classified as O-acyl carbohydrate .
The molecule OCC(=O)[C@@H](O)[C@H](O)C(=O)CO OCC(=O)[C@@H](O)[C@H](O)C(=O)CO is A hexose obtained by selective dehydration at the 5-position of D-fructose. Its functional parent is D-fructose . It is also related to or classified as hexose  .
The molecule CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CCCN(C)C)O[C@@H](CCCCO1)C)[C@H](C)CO)C is 4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .