anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCC(=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 is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoic acid. It is a 3-oxo-fatty acyl-CoA, a long-chain fatty acyl-CoA and an unsaturated fatty acyl-CoA. It is a conjugate acid of a (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA(4-).
The molecule O([C@@H]1[C@H](O)[C@@H](O)[C@@H](OC1)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O O([C@@H]1[C@H](O)[C@@H](O)[C@@H](OC1)OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O is A trisaccharide consisting of beta-D-xylopyranose, alpha-L-arabinopyranose and beta-D-glucopyranose joined in sequence by (1->4) and (1->6) glycosidic linkages. It is also related to or classified as trisaccharide .
The molecule [O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O [O-][N+](=O)N1CN(CN(C1)[N+]([O-])=O)[N+]([O-])=O is an N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used in both industrial and military explosives. It has the role of explosive . It is also related to or classified as 1,3,5-triazinanes , N-nitro compound .
The molecule Nc1nc(O)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Nc1nc(O)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A purine ribonucleoside 5'-monophosphate that is the 2-hydroxylated form of AMP. Its functional parent is adenosine 5'-monophosphate . It is a conjugate acid of 2-hydroxy-AMP(2-) . It is also related to or classified as purine ribonucleoside 5'-monophosphate .
The molecule C12=C(C=CC(=C1N=CC=C2)OCC(=O)OC(C)CCCCC)Cl C12=C(C=CC(=C1N=CC=C2)OCC(=O)OC(C)CCCCC)Cl is A member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8.  It is also related to or classified as carboxylic ester  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as quinolines , aromatic ether .
The molecule O(C[C@@H]([C@@H]([C@H](C(O)=O)O)O)O)P(O)(=O)O O(C[C@@H]([C@@H]([C@H](C(O)=O)O)O)O)P(O)(=O)O is an arabinonic acid derivative that is L-arabinonic acid carrying a single phospho substituent at position 5. Its functional parent is L-arabinonic acid . It is a conjugate acid of 5-phospho-L-arabinonate(3-) . It is also related to or classified as phospho sugar , arabinonic acid derivative .
The molecule O=C1N[C@@H](C(=O)N2[C@@]1(O)CCC2)C(CC)C O=C1N[C@@H](C(=O)N2[C@@]1(O)CCC2)C(CC)C is Staphyloamide A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C1C2=C(O)C=3C(=C4C(O)=C(C(CCCCC)=CC4=CC3)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5 O=C1C2=C(O)C=3C(=C4C(O)=C(C(CCCCC)=CC4=CC3)C(=O)O)C=C2C(=O)C=5C1=C(O)C=C(O)C5 is Bequinostatin C. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC(=CC=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C4CC4 is 1-[(4R,7R,8S)-5-[cyclopropyl(oxo)methyl]-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-(3-fluorophenyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)N=CN3CCCCCC3)C(=O)O)C is a penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria. It has a role as an antibacterial drug and an antiinfective agent.
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#34-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)S(=O)(=O)C)O CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@@H]2CO)S(=O)(=O)C)O is 4-[4-[(8R,9R,10S)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=C(C2=C(N1)N=C(NC2=O)N)C[NH2+][C@@H]3[C@H]([C@H]([C@H]4[C@@H]3O4)O)O is an organic cation that is the conjugate acid of epoxyqueuine, obtained by protonation of the secondary amino group; major species at pH 7.3. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of an epoxyqueuine.
The molecule OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O OCCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O is the 20-hydroxy derivative of leukotriene B4. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is leukotriene B4 . It is a conjugate acid of 20-hydroxy-leukotriene B4(1-) . It is also related to or classified as hydroxy monocarboxylic acid .
The molecule N[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSC1C=Cc2c(cc3ccc4cccc5ccc2c3c45)C1O)C(=O)NCC(O)=O)C(O)=O is A glutathione derivative in which the hydrogen of the side-chain thiol function of glutathione is substituted by a 7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl group. It has the role of mouse metabolite . It is also related to or classified as glutathione derivative .
The molecule [C@@H]1([C@@](OC(C([O-])=O)(O)C[C@@H]1O)([C@@H]([C@@H](COP([O-])([O-])=O)O)O)[H])NC(CO)=O [C@@H]1([C@@](OC(C([O-])=O)(O)C[C@@H]1O)([C@@H]([C@@H](COP([O-])([O-])=O)O)O)[H])NC(CO)=O is major microspecies at pH 7.3. It is also related to or classified as N-acylneuraminate 9-phosphate(3-)  .
The molecule CO[C@@H]1\C=C\C=C(C)\Cc2cc(O)cc(NC(=O)C[C@H](O)\C(C)=C\[C@H](C)[C@@H](O)CC1=O)c2 CO[C@@H]1\C=C\C=C(C)\Cc2cc(O)cc(NC(=O)C[C@H](O)\C(C)=C\[C@H](C)[C@@H](O)CC1=O)c2 is Proansamitocin. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C12=C(C=CC(=C1N=CC=C2)OCC(=O)O[C@@H](C)CCCCC)Cl C12=C(C=CC(=C1N=CC=C2)OCC(=O)O[C@@H](C)CCCCC)Cl is A heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate that has S-configuration. It is also related to or classified as heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate  .
The molecule O1[C@H]([C@@H]([C@H](C1=O)O)O)COP([O-])(=O)[O-] O1[C@H]([C@@H]([C@H](C1=O)O)O)COP([O-])(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-arabino-1,4-lactone-5-phosphate. Major microspecies at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1C(=O)N(CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@@H]1C(=O)N(CC[C@H]2CC[C@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-39017. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3)C(=O)N(C[C@@H]1OC)C)C)C(=O)COC is N-[(5R,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-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 [Cl-].C[C@@H](Cc1ccccc1)[NH+](C)Cc1ccccc1 [Cl-].C[C@@H](Cc1ccccc1)[NH+](C)Cc1ccccc1 is the hydrochloride salt of benzphetamine. A sympathomimetic agent with properties similar to dextroamphetamine, it is used in the treatment of obesity. It has the role of sympathomimetic agent . It has the role of adrenergic uptake inhibitor . It has the role of appetite depressant . It has the role of dopamine uptake inhibitor . It is also related to or classified as hydrochloride .
The molecule ClC([C@H](O)CC1=C2NC(C(C=C)(C)C)=C(C2=CC=C1)/C=C/3\NC(=O)[C@H](C)NC3=O)(C)C ClC([C@H](O)CC1=C2NC(C(C=C)(C)C)=C(C2=CC=C1)/C=C/3\NC(=O)[C@H](C)NC3=O)(C)C is Variecolorin F. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCC(C(C(/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O)O)O is a trihydroxyicosatrienoic acid that is (5Z,8Z,11Z)-icosatrienoic acid in which the three hydroxy groups are located at positions 13, 14 and 15. It is a trihydroxyicosatrienoic acid and a secondary allylic alcohol. It is a conjugate acid of a 13,14,15-trihydroxy-(5Z,8Z,11Z)-icosatrienoate.
The molecule CC(C)(C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O CC(C)(C#CC1=CC=C(C=C1)[C@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O is 4-[4-[(8R,9S,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC(=CC(=C1)Cl)[N+](=O)[O-] is a C-nitro compound that is nitrobenzene in which one of the meta- hydrogens has been replced by chlorine. It is a C-nitro compound and a member of monochlorobenzenes.
The molecule CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C CS(O)(=O)=O.[H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C is the methanesulfonic acid salt of 9,10-dihydroergocornine. It is a component of ergoloid mesylate (codergocrine mesilate), a mixture of ergot alkaloid derivatives that is used as a vasodilator and has shown mild benefits in the treatment of vascular dementia. Its functional parent is ergocornine . It is also related to or classified as methanesulfonate salt .
The molecule ClC1=C(O)C=C2OC=3C(C2=C1C)=C(C=C(O)C3)C ClC1=C(O)C=C2OC=3C(C2=C1C)=C(C=C(O)C3)C is 2-chloro-3,7-dihydroxy-1,9-dimethyldibenzofuran. It is also related to or classified as organochlorine compound  . It is also related to or classified as dibenzofurans .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is 1-[[(3S,9R,10S)-16-(dimethylamino)-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-9-yl]methyl]-1-methyl-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(C[NH3+])[C@@H]([C@@H](C(=O)[O-])[NH3+])O is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of (3S)-3-hydroxy-L-ornithine: major species at pH 7.3. It is a conjugate acid of a (3S)-3-hydroxy-L-ornithine.
The molecule CC(C)C1CCC(=C)CC1 CC(C)C1CCC(=C)CC1 is A monoterpene consisting of methylenecyclohexane having an isopropyl substituent at the 4-position. It is also related to or classified as monoterpene  .
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)CCC/C=C\CCCCCC)=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)CCC/C=C\CCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is an acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of cis-dodec-5-enoyl-CoA; major species at pH 7.3. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C C[C@H]1CN[C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C is 2-methoxy-N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-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 [H]C(=C([H])C=1C=CC=CC1F)C2=CC=C(OC)C=C2 [H]C(=C([H])C=1C=CC=CC1F)C2=CC=C(OC)C=C2 is NF-kappaB Activation Inhibitor IV. It has the role of NF-kappaB inhibitor . It is also related to or classified as organic molecular entity .
The molecule C12=C(C=CC(=C1N=CC=C2)OCC(=O)O[C@H](C)CCCCC)Cl C12=C(C=CC(=C1N=CC=C2)OCC(=O)O[C@H](C)CCCCC)Cl is A heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate that has R-configuration. It is also related to or classified as heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate  .
The molecule O1[C@H]([C@@H]([C@H](C1=O)O)O)COP(O)(=O)O O1[C@H]([C@@H]([C@H](C1=O)O)O)COP(O)(=O)O is A aldonolactone phosphate that is L-arabino-1,4-lactone carrying a single phospho substituent at position 5. Its functional parent is L-arabinono-1,4-lactone . It is a conjugate acid of L-arabino-1,4-lactone-5-phosphate(2-) .  It is also related to or classified as gamma-lactone  . It is also related to or classified as aldonolactone phosphate .
The molecule O=C1OC(C(C=CC=CC(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)OC(=O)CC(=O)O)C)C(CC(CCC/C=C/CCCNC(=NC)N)C)C O=C1OC(C(C=CC=CC(O)CC(O)CC(O)CC(OC(=O)CC(=O)O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)OC(=O)CC(=O)O)C)C(CC(CCC/C=C/CCCNC(=NC)N)C)C is Malonylniphimycin. Its functional parent is hexacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2O[C@@H](OC(OC)=O)C)CC)C)OCCOC)S(C)(=O)=O C=1C(=C(C(=C(C1)C(=O)C=2C=NN(C2O[C@@H](OC(OC)=O)C)CC)C)OCCOC)S(C)(=O)=O is A 1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate that has S-configuration. It has the role of proherbicide . It is also related to or classified as 1-({1-ethyl-4-[3-(2-methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoyl]-1H-pyrazol-5-yl}oxy)ethyl methyl carbonate  .
The molecule CCCCCCCCCCCCCCCC(=O)N[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[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a glycotriaosylceramide having alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl as the glycotriaosyl component attached to the Cer(d18:1/16:0). It has a role as a mouse metabolite. It derives from a hexadecanoic acid.
The molecule CC(C)C1=CCC(=C)CC1 CC(C)C1=CCC(=C)CC1 is one of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and gamma-terpinene being the others). In beta-terpinene the double bonds are at the 1(7)- and 3-positions of the p-menthane skeleton. beta-Terpinene has no known natural source. It is also related to or classified as monoterpene  .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)[O-] [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCCCCC(=O)[O-] is A monocarboxylic acid anion that is the conjugate base of oscr#34, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule CC1=C(C2=CC(=C(C=C2C(=O)C1=O)O)O)O is a naphthoquinone that is naphthalene-1,4-dione substituted by hydroxy groups at positions 2, 6 and 7 and a methyl group at position 3. It has been isolated from Penicillium purpurogenum. It has a role as a Penicillium metabolite. It is a member of phenols and a hydroxy-1,4-naphthoquinone.
The molecule O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)CO)C5OC(C(O)C(O)C5O)C O(C1C(O)C(O)C(OC1OC=2C=C3OC(CC(=O)C3=C(O)C2)C4=CC(O)=C(OC)C=C4)CO)C5OC(C(O)C(O)C5O)C is Hesperetin 7-neohesperidoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(O)=O is A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. It has the role of vasoconstrictor agent . It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is icosa-6,8,10,14-tetraenoic acid . It is a conjugate acid of leukotriene B4(1-) .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as leukotriene  . It is also related to or classified as hydroxy polyunsaturated fatty acid , dihydroxy monocarboxylic acid .
The molecule COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)CC2=CC=CC=C2C(=O)OC)OC is the methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK. It has a role as a herbicide, an agrochemical and an EC 2.2.1.6 (acetolactate synthase) inhibitor. It is a N-sulfonylurea, a member of pyrimidines, a methyl ester and an aromatic ether. It derives from a bensulfuron.
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(O)=O is A synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant. It has the role of anticoagulant . It has the role of EC 3.4.21.5 (thrombin) inhibitor . It is also related to or classified as polypeptide  .
The molecule [H]C(=O)[C@@H](O)[C@@H](O)CC(=O)C(O)=O [H]C(=O)[C@@H](O)[C@@H](O)CC(=O)C(O)=O is A dioxo monocarboxylic acid that is the 4,5-dihydroxy-2,6-dioxo derivative of hexanoic acid having (4S,5S)-configuration. Its functional parent is hexanoic acid . It is a conjugate acid of (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate . It is also related to or classified as aldehyde  . It is also related to or classified as dioxo monocarboxylic acid , dihydroxy monocarboxylic acid .
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)CC3=CC=NC=C3 C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=CC=NC=C3 is N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-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 O([C@H]1[C@@H]([C@H]([C@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)NC(=O)C)[C@H](O1)CO)O)NC(=O)C)[C@@H]3[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]3O)NC(=O)C)CO O([C@H]1[C@@H]([C@H]([C@H](O[C@H]2[C@@H]([C@H]([C@H](O)[C@H](O2)CO)O)NC(=O)C)[C@H](O1)CO)O)NC(=O)C)[C@@H]3[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]3O)NC(=O)C)CO is spontaneous hydrolysis product of CHEBI:143143. It is also related to or classified as carbohydrate acid anion .
The molecule O1[C@@H]([C@@H]([C@H](C1=O)O)O)COP([O-])(=O)[O-] O1[C@@H]([C@@H]([C@H](C1=O)O)O)COP([O-])(=O)[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-xylono-1,4-lactone-5-phosphate. Major microspecies at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H](CC(=O)[O-])O is the conjugate base of (R)-3-hydroxybutyric acid. It has a role as a human metabolite. It is a conjugate base of a (R)-3-hydroxybutyric acid. It is an enantiomer of a (S)-3-hydroxybutyrate.
The molecule COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(OC)c2cc1O COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(OC)c2cc1O is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at positions 3 and 7, a methoxy group at  position 5 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 2 respectively. It has the role of plant metabolite . It is also related to or classified as anthocyanidin cation  .
The molecule O=C1N(C2=C(C=C3C(=CC(N4C3=C2OC4)=O)CO)C(=C1)CO)C O=C1N(C2=C(C=C3C(=CC(N4C3=C2OC4)=O)CO)C(=C1)CO)C is Hydroxynybomycin.  It is also related to or classified as aromatic alcohol  . It is also related to or classified as quinolines .
The molecule C[C@H]1C[C@H](C(=O)/C=C/[C@H]([C@H](OC(=O)[C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)[C@@H](C)O)C)C is a twelve-membered macrolide antibiotic that is biosynthesised by Streptomyces venezuelae. It has a role as a bacterial metabolite. It is an enone, a macrolide antibiotic and a monosaccharide derivative. It is a conjugate base of a neomethymycin(1+).
The molecule CCN(CC)C/C(=N/C=1C=CC=C(C1)OCC2=CC=CC=C2)/O CCN(CC)C/C(=N/C=1C=CC=C(C1)OCC2=CC=CC=C2)/O is 2-(diethylamino)-N-(3-phenylmethoxyphenyl)acetamide. It has the role of EC 2.6.1.19 (4-aminobutyrate--2-oxoglutarate transaminase) inhibitor . It is also related to or classified as organic molecular entity .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#33-CoA; major species at pH 7.3. It is also related to or classified as acyl-CoA(4-)  .
The molecule CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C is an enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. It has a role as a human metabolite. It is a member of retinals and an enal.
The molecule CN1[C@]2(CC[C@]1([H])[C@@]([C@](C2)(C3=CC=C(C=C3)Cl)[H])([H])C(=O)OC)[H] CN1[C@]2(CC[C@]1([H])[C@@]([C@](C2)(C3=CC=C(C=C3)Cl)[H])([H])C(=O)OC)[H] is rTI-31 is a synthetic analog of cocaine. It has the role of dopamine uptake inhibitor . It is also related to or classified as organic molecular entity .
The molecule C1[C@@H]([C@H](O[C@H]1N2C(=C(C(=O)NC2=O)O)O)COP(=O)(O)O)O is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5,6-dihydroxyuracil as the nucleobase. It has a role as a Mycoplasma genitalium metabolite. It derives from a dUMP.
The molecule [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N5CCC[C@@]25[H])C1=O)C(C)C)c34 is ergotaman bearing a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. It is also related to or classified as ergot alkaloid .