anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)F C[C@@H]1CN([C@@H](COC2=C(C=CC(=C2)NC(=O)C3=NOC(=C3)C)C(=O)N(C[C@H]1OC)C)C)S(=O)(=O)C4=CC=C(C=C4)F is N-[(5S,6R,9R)-8-(4-fluorophenyl)sulfonyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C2C(=C1)C(=CN2)CC(=N)C(=O)O is a dehydroamino acid that is tryptophan in which the amino group has been oxidised to the corresponding imine. It has a role as a bacterial metabolite. It is a dehydroamino acid, a ketimine, a tryptophan derivative and a member of indoles. It is a conjugate acid of a 2-imino-3-(indol-3-yl)propanoate. It is a tautomer of an alpha,beta-didehydrotryptophan and a 2-iminio-3-(indol-3-yl)propanoate.
The molecule O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C3=CC=C(O)C=C3 O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C3=CC=C(O)C=C3 is Demethoxysudachitin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)NC(=O)C)O)O [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)NC(=O)C)O)O is A linear amino tetrasaccharide consisting of alpha-D-galactose, beta-D-galactose, N-acetyl-beta-D-glucosamine and (at the reducing end) N-acetyl-alpha-D-galactosamine residues linked conesecutively (1->3), (1->4) and (1->3). It is also related to or classified as amino sugar , amino tetrasaccharide .
The molecule P(=O)(OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)O P(=O)(OCCNC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)(O)O is Phospho-anandamide. It is also related to or classified as N-acylethanolamine phosphate  . It is also related to or classified as phosphoethanolamine .
The molecule COc1ccc(CC(O)=O)cc1 COc1ccc(CC(O)=O)cc1 is A monocarboxylic acid that is phenylacetic acid carrying a 4-methoxy substituent. It is used as an intermediate for pharmaceuticals and other organic synthesis. It has been found to inhibit the germination of cress and lettuce seeds. It has the role of plant growth retardant . It has the role of plant metabolite . It has the role of Aspergillus metabolite . It is also related to or classified as monomethoxybenzene , monocarboxylic acid .
The molecule [Cl] [Cl] is chlorine atom. It has the role of micronutrient . It is also related to or classified as halogen  .
The molecule C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O is a purine ribonucleoside 5'-triphosphate. It has a role as an antimetabolite, an antifungal agent, an antineoplastic agent and an antiviral agent. It derives from a cordycepin.
The molecule CC1=C(CO)C=CC=C1 CC1=C(CO)C=CC=C1 is A methylbenzyl alcohol that is toluene in which one of the ortho hydrogens has been replaced by a hydroxymethyl group.   It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as methylbenzyl alcohol , toluenes .
The molecule COc1cc(C=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)n2cnc3c(N)ncnc23)ccc1O COc1cc(C=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)n2cnc3c(N)ncnc23)ccc1O is an acyl-CoA(4-) that is the tetraanion of feruloyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups. It is also related to or classified as acyl-CoA(4-)  .
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=C3OC 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=C3OC is N-[(4R,7S,8R)-8-methoxy-5-[(2-methoxyphenyl)methyl]-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 COC(=O)[C@@]1([C@@H](CCC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O)O)O is a member of the class of xanthones that is methyl (1R)-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a hydroxymethyl group at position 6 and an oxo group at position 9. It has been isolated from the sea fan derived fungus Aspergillus sydowii. It has a role as an Aspergillus metabolite. It is a member of phenols, an aromatic primary alcohol, a member of xanthones, a methyl ester, a tertiary alcohol and a secondary alcohol.
The molecule O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=CC7C6C5)C)C)O2 O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=CC=CC7C6C5)C)C)O2 is Terpendole I. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)[C@@H](O)[C@@H](O)C[C@@]21OC3=O [H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C([O-])=O)[C@]1([H])[C@@]3(C)[C@@H](O)[C@@H](O)C[C@@]21OC3=O is conjugate base of gibberellin A8. It is also related to or classified as gibberellin carboxylic acid anion .
The molecule C([C@@H]1[C@H]([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](OC([C@@H]3O)O)CO)O)CO)O)O)O)O is a glucotriose consisting of two molecules of alpha-D-glucopyranose and a D-glucopyranose moiety joined together in sequence by (1->4) and (1->3) glycosidic bonds. It derives from a nigerose and an alpha-maltose.
The molecule O1[C@@H]([C@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO O1[C@@H]([C@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO is A D-mannofuranose that has beta configuration at the anomeric centre. It is also related to or classified as D-mannofuranose  .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@@H]1OC)C)C is 1-(4-methoxyphenyl)-3-[(5R,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]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1[C@@]2([C@@H](O)CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C O1[C@@]2([C@@H](O)CC3=CC=C(N3[C@@H]4[C@H]1[C@H](N5C(C)=CC=C5[C@H]24)C)C)[C@@H](O)C is Bipolamine D. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound .
The molecule O1C(C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)=C(O)C(=O)C=4C1=CC(O)=CC4O O1C(C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)=C(O)C(=O)C=4C1=CC(O)=CC4O is 2-(3-benzoylphenyl)-3,5,7-trihydroxychromen-4-one. Its functional parent is galangin .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as trihydroxyflavone .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)C(OC)=CC(O)=C2 O1C2=C(C(=O)C(OC)=C1C3=CC(O)=C(O)C=C3)C(OC)=CC(O)=C2 is Caryatin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3CCC3)C(=O)N(C[C@H]1OC)C)C)C is N-[(4R,7R,8S)-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]cyclobutanecarboxamide.  It is also related to or classified as lactam  . It is also related to or classified as cyclobutanes , azamacrocycle .
The molecule C1=CC(=CC=C1O)[O] is a member of the class of benzosemiquinones which results from the removal of one hydrogen atom with its electron from hydroquinone (or from the addition of one hydrogen atom with its electron to p-benzoquinone). It is a member of 1,4-benzosemiquinones and a member of benzosemiquinones.
The molecule CC1(C)[C@]2(O[C@]3(CC[C@]4(C)[C@@]5(C)C6=C(C7=CC=CC=C7N6)C[C@]5([H])CC[C@]4([C@@]38[C@@]([C@@]2(O[C@@H](O1)C=C(C)C)[H])(O8)[H])O)[H])[H] CC1(C)[C@]2(O[C@]3(CC[C@]4(C)[C@@]5(C)C6=C(C7=CC=CC=C7N6)C[C@]5([H])CC[C@]4([C@@]38[C@@]([C@@]2(O[C@@H](O1)C=C(C)C)[H])(O8)[H])O)[H])[H] is terpendole C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C is 5alpha-cholestane-3beta,5,6beta-triol. It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as 6beta-hydroxy steroid , 5alpha-hydroxy steroid .
The molecule C1C[C@H](NC1)C(=O)[O-] is an optically active form of prolinate having L-configuration. It has a role as a human metabolite. It is a prolinate and a L-alpha-amino acid anion. It is a conjugate base of a L-proline. It is an enantiomer of a D-prolinate.
The molecule Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1 is A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond. It has the role of mouse metabolite . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . Its functional parent is cytosine . It is also related to or classified as cytidines .
The molecule C[C@@H]1O[C@@H]1P(O)([O-])=O C[C@@H]1O[C@@H]1P(O)([O-])=O is an organophosphonate oxoanion obtained by deprotonation of one of the two phosphonate OH groups of (1R,2S)-epoxypropylphosphonic acid; major species at pH 7.3. It has the role of antimicrobial agent . It is a conjugate acid of (1R,2S)-epoxypropylphosphonate(2-) . It is also related to or classified as organophosphonate oxoanion .
The molecule C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO)F C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)[C@H]3[C@@H](N[C@@H]3C#N)CO)F is (2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl is a member of the class of dibenzannulenes that is 10,11-dihydrodibenzo[a,d][7]annulene carrying two chloro substituents at positions 2 and 4 as well as an imidazol-1-yl substituent at position 5. It is a member of imidazoles, an organochlorine compound and a dibenzannulene. It derives from a hydride of a dibenzo[a,d][7]annulene.
The molecule O[C@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OC(=O)Cc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O O[C@H]1CO[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OC(=O)Cc3c[nH]c4ccccc34)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O is (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside. Its functional parent is myo-inositol . It is also related to or classified as arabinoside  . It is also related to or classified as indolyl carbohydrate , monosaccharide derivative .
The molecule C=1C=C(C(CCCN2[C@H](CCC[C@H]2C)C)(C=3N=CC=CC3)O)C=CC1.Cl.O C=1C=C(C(CCCN2[C@H](CCC[C@H]2C)C)(C=3N=CC=CC3)O)C=CC1.Cl.O is Pirmenol hydrochloride. It is also related to or classified as benzenes , organic amino compound .
The molecule Cc1ccc(O)cc1 Cc1ccc(O)cc1 is A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. It has the role of uremic toxin . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is also related to or classified as cresol  .
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)NC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O is a branched amino trisaccharide that consists of N-acetyl-alpha-D-galactosamine having a beta-D-galactosyl residue attached at the 3-position and an alpha-N-acetylneuraminosyl residue attached at the 6-position. It has a role as an epitope. It is an amino trisaccharide and a galactosamine oligosaccharide.
The molecule S(O[C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O[C@@H]1CO)CO)(O)(=O)=O S(O[C@H]1[C@H](O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O[C@@H]1CO)CO)(O)(=O)=O is A glycosyl alditol derivative consisting of an alpha-L-idopyranuronic acid residue and a 2,5-anhydro-4-O-sulfo-D-glucitol residue joined in sequence by a (1->3) glycosidic bond. Its functional parent is alpha-L-iduronic acid . It is also related to or classified as monocarboxylic acid , oligosaccharide sulfate , glycosyl alditol derivative .
The molecule C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)NC3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C is 1-(4-fluorophenyl)-3-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-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 OC1C(=O)NC(=O)NC1=O OC1C(=O)NC(=O)NC1=O is A member of the class of barbiturates that is barbituric acid in which a hydrogen attached to a ring carbon is replaced by a hydroxy group. Its functional parent is barbituric acid . It is a conjugate acid of dialurate . It is also related to or classified as barbiturates  .
The molecule C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C C[C@@H]1CN([C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)N(C[C@H]1OC)C)C)C is N-[(4S,7R,8S)-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]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H](C)[C@H](N)C([O-])=O CC[C@H](C)[C@H](N)C([O-])=O is the L-enantiomer of isoleucinate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It has the role of Escherichia coli metabolite . It is also related to or classified as isoleucinate  . It is also related to or classified as L-alpha-amino acid anion  .
The molecule C[C@@H]\\1C[C@@H](OC(=O)C[C@@H](NC(=O)[C@H](N(C(=O)[C@@H](NC(=O)CC/C(=C1)/C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C is a cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity. It has a role as an actin polymerisation inhibitor, an antineoplastic agent, an animal metabolite and a marine metabolite. It is a cyclodepsipeptide, a macrocycle and an organobromine compound.
The molecule O=C1C(CC=C(C)C)(CC=C(C)C)C(=O)C(O)=C1O O=C1C(CC=C(C)C)(CC=C(C)C)C(=O)C(O)=C1O is Hulupinic acid. It is also related to or classified as enol  . It is also related to or classified as enone  .
The molecule O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@H](O)[C@H](O7)C(OC(=O)C)(C)C)C)O)C=C2)C[C@@H]9[C@@H]1C(OC9(C)C)(C)C O=C1C2=C(C3=C(NC4=C3C[C@@H]5CC[C@@]6([C@@]([C@@]45C)(CC[C@H]7[C@@]68O[C@@H]8[C@H](O)[C@H](O7)C(OC(=O)C)(C)C)C)O)C=C2)C[C@@H]9[C@@H]1C(OC9(C)C)(C)C is Lolitrem J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C [H]C(=CC(C)=CC(O)=O)C=C(C)C=C([H])c1c(C)cc(OC)c(C)c1C is A retinoid that consists of 3,7-dimethylnona-2,4,6,8-tetraenoic acid having a 4-methoxy-2,3,6-trimethylphenyl group attached at position 9. It is also related to or classified as retinoid  .
The molecule C[N+]1=CCCC1 is an organic cation that is 1-pyrroline bearing an N-methyl substituent. It has a role as a human metabolite and a mouse metabolite. It derives from a hydride of a 1-pyrrolinium.
The molecule C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@H](COC2=C(C=CC(=C2)NC(=O)C3CCC3)C(=O)N(C[C@@H]1OC)C)C is N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclobutanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule OC(=O)C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 OC(=O)C(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12 is A pyruvic acid having a 5-benzyloxyindol-3-yl group at the 3-position. Its functional parent is pyruvic acid . It is a conjugate acid of 3-(5-benzyloxyindol-3-yl)pyruvate . It is also related to or classified as indol-3-yl carboxylic acid .
The molecule C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C is the bile acid taurine conjugate of lithocholic acid. It has the role of human metabolite . Its functional parent is lithocholic acid . It is a conjugate acid of taurolithocholate .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as bile acid taurine conjugate .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@@H](CN([C@H](CO2)C)C(=O)C3=CC=NC=C3)C)OC)C is N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(pyridin-4-yl)methyl]-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[C@@H]1C=C(C=C[C@H]1O)C(=O)O is the (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a plant metabolite. It is a conjugate acid of a chorismate(2-).
The molecule O1CC(C=2C(OC)=CC=3OCOC3C2)C(=O)C=4C1=CC(O)=CC4O O1CC(C=2C(OC)=CC=3OCOC3C2)C(=O)C=4C1=CC(O)=CC4O is Cicerin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@@H]5O[C@@H]([C@@H](OC(=O)N)[C@@H]([C@H]5O)O)CO)=O)OC(=O)C(C)C)(O4)C)C)C3)=O)C ClC1=C(OC)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@@H]5O[C@@H]([C@@H](OC(=O)N)[C@@H]([C@H]5O)O)CO)=O)OC(=O)C(C)C)(O4)C)C)C3)=O)C is 4''-O-Carbamoyl ansamitocinoside P-3. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule COC1=CC(C=C(OC)C1=O)=C1C=C(OC)C(=O)C(OC)=C1 COC1=CC(C=C(OC)C1=O)=C1C=C(OC)C(=O)C(OC)=C1 is A dimeric cyclic ketone arising from enzymic oxidation of 2,6-dimethoxyphenol. It is also related to or classified as cyclic ketone .
The molecule CCCCCCCC/C=C\\CCCCCCCCCCCCCC(=O)N is a primary fatty amide resulting from the formal condensation of the carboxy group of (15Z)-tetracosenoic acid with ammonia. It derives from a (15Z)-tetracosenoic acid.
The molecule C1=CC=NC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] C1=CC=NC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-] is N'-[(3-nitrophenyl)-oxomethyl]-2-pyridinecarbohydrazide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule C([C@H](CCSSCC[C@@H](C(=O)O)N)N)(O)=O C([C@H](CCSSCC[C@@H](C(=O)O)N)N)(O)=O is A homocystine in which both chiral centres have L configuration. Its functional parent is L-homocysteine . It is also related to or classified as homocystine  .
The molecule CC/C=C\\C/C=C\\C[C@@H](/C=C\\C=C\\C=C\\[C@H](C/C=C\\CCC(=O)O)O)O is a dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions. It has a role as a human xenobiotic metabolite and a specialised pro-resolving mediator. It is a dihydroxydocosahexaenoic acid and a secondary allylic alcohol. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoate.
The molecule CC1(C)C(C=C(Cl)Cl)C1C(O)=O CC1(C)C(C=C(Cl)Cl)C1C(O)=O is 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid. Its functional parent is cyclopropanecarboxylic acid . It is also related to or classified as organochlorine compound  .
The molecule O=C(NC1C(OC2OC3C(O)C(NC)C(OC4OC(C(N)C(C4O)O)CO)OC3CC2N)C(O)C(O)C(C1)N)C O=C(NC1C(OC2OC3C(O)C(NC)C(OC4OC(C(N)C(C4O)O)CO)OC3CC2N)C(O)C(O)C(C1)N)C is N3'-Acetylapramycin. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule CC(C)[C@H](C(=O)[O-])O is a hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-2-hydroxy-3-methylbutyric acid. The major species at pH 7.3. It is a conjugate base of a (R)-2-hydroxy-3-methylbutyric acid. It is an enantiomer of a (S)-2-hydroxy-3-methylbutyrate.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A glycosylgalactose consisting of beta-D-galactose having an alpha-L-fucosyl residue attached at the 2-position. It has the role of epitope . It is also related to or classified as alpha-L-Fucp-(1->2)-D-Galp  .
The molecule O[C@H]1[C@@]2([C@@H]3C(=CC[C@H]2C[C@H](C1)O)[C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)C O[C@H]1[C@@]2([C@@H]3C(=CC[C@H]2C[C@H](C1)O)[C@H]4[C@](/C(=C/CCC(=C)C(C)C)/CC4)(C)CC3)C is Abscisterol E. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C(C(CCSSCCC(C(=O)[O-])[NH3+])[NH3+])([O-])=O C(C(CCSSCCC(C(=O)[O-])[NH3+])[NH3+])([O-])=O is dizwitterionic form of homocystine arising from transfer of two protons from the carboxy to the amino groups; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as amino-acid zwitterion .
The molecule CC1([C@@H]2CC[C@]1(C(=O)C2)CS(=O)(=O)O)C is the S enantiomer of camphorsulfonic acid. It is a conjugate acid of a (S)-camphorsulfonate. It is an enantiomer of a (R)-camphorsulfonic acid.
The molecule O[C@]12[C@@]([C@@]3([C@@H](CC1)CC4=C3NC5=C4C=C6C(=C5)C=7[C@H](C6)C(OC(C7)(C)C)(C)C)C)(CC[C@@H]8O[C@@H]([C@H](OC(=O)C)C=C28)C(O)(C)C)C O[C@]12[C@@]([C@@]3([C@@H](CC1)CC4=C3NC5=C4C=C6C(=C5)C=7[C@H](C6)C(OC(C7)(C)C)(C)C)C)(CC[C@@H]8O[C@@H]([C@H](OC(=O)C)C=C28)C(O)(C)C)C is Janthitrem G. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [H][C@]1(CC[C@@H](O)[C@]2(O1)O[C@@]([H])(CC(C)=C2)[C@H](C)\C=C\[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@]([H])([C@@H](O)C[C@H](C)[C@@]4([H])O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)C[C@@](C)(O)C(O)=O [H][C@]1(CC[C@@H](O)[C@]2(O1)O[C@@]([H])(CC(C)=C2)[C@H](C)\C=C\[C@@]1([H])CC[C@@]2(CC[C@@]3([H])O[C@]([H])([C@@H](O)C[C@H](C)[C@@]4([H])O[C@@]5(CCCCO5)CC[C@H]4C)C(=C)[C@@H](O)[C@]3([H])O2)O1)C[C@@](C)(O)C(O)=O is A polycyclic ether that is produced by several species of dinoflagellates, and is known to accumulate in both marine sponges and shellfish.  A polyketide, polyether derivative of a C38 fatty acid, it is one of the primary causes of diarrhetic shellfish poisoning (DSP). It is a potent inhibitor of specific protein phosphatases and is known to have a variety of negative effects on cells. It has the role of calcium ionophore . It has the role of EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor . It has the role of marine metabolite . It is also related to or classified as polycyclic ether .
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)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H]([C@@H](O[C@@H]([C@H]3O)CO)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@H](O4)O)NC(=O)C)O)O)NC(=O)C)CO)O)O is a linear amino tetrasaccharide comprised of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-alpha-D-galactosamine residues linked sequentially (2->3), (1->3) and (1->6). It is an amino tetrasaccharide, a glucosamine oligosaccharide and a galactosamine oligosaccharide.