anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)n1cnc2c(N)ncnc12 is A very long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of hexacosanoic (cerotic) acid.. It has the role of Saccharomyces cerevisiae metabolite . Its functional parent is hexacosanoic acid . It is a conjugate acid of hexacosanoyl-CoA(4-) . It is also related to or classified as saturated fatty acyl-CoA  . It is also related to or classified as very long-chain fatty acyl-CoA .
The molecule [H][C@]12CC3(C=CC(=O)C=C3)c3c(OC)c(OC)cc(CCN1C)c23 [H][C@]12CC3(C=CC(=O)C=C3)c3c(OC)c(OC)cc(CCN1C)c23 is an  isoquinoline alkaloid isolated from Berberis coletioides. It has the role of plant metabolite . It is also related to or classified as isoquinoline alkaloid , isoquinolines , aromatic ether , organic heterotetracyclic compound , cyclic ketone .
The molecule OC(=O)c1cc(Cl)ccc1O OC(=O)c1cc(Cl)ccc1O is A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. Its functional parent is benzoic acid . It is a conjugate acid of 5-chlorosalicylate . It is also related to or classified as chlorobenzoic acid , monohydroxybenzoic acid , monochlorobenzenes .
The molecule [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C[NH3+])O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)OC)NC(=O)C)O [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C[NH3+])O)O)O)O[C@H]2[C@@H]([C@H]([C@@H](O[C@@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)O)O)OC)NC(=O)C)O is A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated. Its functional parent is beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc . It is also related to or classified as methyl glycoside .
The molecule O=C(OCC(=C[C@@H](C(=O)O)CC=C(C)C)CCO)[C@H](C=C(CO)CCO)CC=C(C)C O=C(OCC(=C[C@@H](C(=O)O)CC=C(C)C)CCO)[C@H](C=C(CO)CCO)CC=C(C)C is Sterepinic acid B. It is also related to or classified as medium-chain fatty acid  .
The molecule O=C/1N(O)C(=O)C(CC2=CC=CC=C2)=N\C1=C(\O)/C3=CC=CC=C3 O=C/1N(O)C(=O)C(CC2=CC=CC=C2)=N\C1=C(\O)/C3=CC=CC=C3 is (5E)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]pyrazine-2,6-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O is a cardenolide glycoside consisting of digitoxigenin having a beta-D-glucopyrananosyl-(1->4)-alpha-L-acofriopyranosyl moiety attached at the 3-position. It derives from a digitoxigenin.
The molecule C1([C@@H]2CC(NCCCN(CCCCN2)C(C3=CC=CC=C3)=O)=O)=CC=CC=C1 C1([C@@H]2CC(NCCCN(CCCCN2)C(C3=CC=CC=C3)=O)=O)=CC=CC=C1 is A cyclic spermidine alkaloid that is 2-phenyl-1,5,9-triazacyclotridecan-4-one in which the amino hydrogen at position 9 has been replaced by a benzoyl group.  It is also related to or classified as lactam  . It is also related to or classified as benzamides , spermidine alkaloid , azamacrocycle .
The molecule [H][N+]([H])([H])[H] [H][N+]([H])([H])[H] is an onium cation obtained by protonation of ammonia. It has the role of cofactor . It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of ammonia . It is also related to or classified as nitrogen hydride , onium cation , monovalent inorganic cation .
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]([C@@H](O[C@@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)OCCC[NH3+])NC(=O)C)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]([C@@H](O[C@@H]2CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)C(=O)[O-])O)O)O)O)O)OCCC[NH3+])NC(=O)C)O is A glycoside that is beta-D-Gal-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at the reducing-end anomeric centre is replaced by a 3-azaniumylpropyl group. Its functional parent is beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc . It is also related to or classified as glycoside  .
The molecule S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)/C(=C/C4=C(O)C(OC)=C(OC)C=C4)/N(C2=O)C)C S([C@]12N(O[C@H]3[C@H](O)C=C[C@H]([C@]3(C1)O)O)C(=O)/C(=C/C4=C(O)C(OC)=C(OC)C=C4)/N(C2=O)C)C is Peniciadametizine B. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C([C@@H]1C(C(C([C@H](O1)OP(=O)(O)O)O)O)O)O is any hexose-1-phosphate which has D configuration at position 5 and alpha-configuration at the anomeric centre. It is a conjugate acid of an alpha-D-hexose 1-phosphate(2-).
The molecule CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(N)=O is A substituted L-phenylalanyl-L-phenylalaninamide dipeptide. It is a potent inhibitor of protein tyrosine phosphatase. It has the role of EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor .  It is also related to or classified as dipeptide  . It is also related to or classified as amino acid amide .
The molecule O=C1C=C2[C@@]3([C@]([C@]4([C@@](CC3)(CC[C@](C4)(C(=O)O)C)C)[H])(CC[C@]2(C=5C1=C(C(OC)=C(O)C5)C)C)C)C O=C1C=C2[C@@]3([C@]([C@]4([C@@](CC3)(CC[C@](C4)(C(=O)O)C)C)[H])(CC[C@]2(C=5C1=C(C(OC)=C(O)C5)C)C)C)C is A pentacyclic triterpenoid with formula C30H40O5, originally isolated from Tripterygium doianum. It has the role of plant metabolite .   It is also related to or classified as phenols  .   It is also related to or classified as enone  . It is also related to or classified as monocarboxylic acid , pentacyclic triterpenoid , aromatic ether , cyclic terpene ketone .
The molecule [C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC [C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC is A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. It has the role of muscarinic antagonist . It has the role of antispasmodic drug . It is also related to or classified as epoxide  . It is also related to or classified as carboxylic ester  . It is also related to or classified as quaternary ammonium ion  . It is also related to or classified as tropane alkaloid .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)NCCO is an N-(long-chain-acyl)ethanolamine that is the ethanolamide of linoleic acid. It has a role as an EC 3.5.1.99 (fatty acid amide hydrolase) inhibitor. It is a N-(long-chain-acyl)ethanolamine, a N-(polyunsaturated fatty acyl)ethanolamine and a N-acylethanolamine 18:2. It derives from a linoleic acid.
The molecule Cl[C@]12C(OC)=C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O Cl[C@]12C(OC)=C[C@]3(C(=O)OC)C([C@@]1(O)C(C4=C[C@H](O)[C@H]5[C@@]([C@@H]4OC(=O)C6=C(O)C=C(C)C=C6O)(O5)CC=C(C)C)=C[C@]2(C3)C)=O is Chloropupukeananin. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule [NH3+]CCCS([O-])(=O)=O [NH3+]CCCS([O-])(=O)=O is zwitterionic form of 3-aminopropanesulfonic acid arising from transfer of a proton from the sulfo to the amino group; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)n1cnc2c(N)ncnc12 CCCCCCCCCCCCCCCCCCCCCCCCCC(=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)n1cnc2c(N)ncnc12 is A saturated fatty acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of hexacosanoyl-CoA; the major species at pH 7.3. It is also related to or classified as very long-chain fatty acyl-CoA(4-)  . It is also related to or classified as 3-substituted propionyl-CoA(4-)  . It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as very long-chain acyl-CoA(4-)  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCC(=O)O is a very long-chain omega-6 fatty acid that is triacontanoic acid having four double bonds located at positions 15, 18, 21 and 24 (the 15Z,18Z,21Z,24Z-isomer). It is an omega-6 fatty acid and a triacontatetraenoic acid. It is a conjugate acid of a (15Z,18Z,21Z,24Z)-triacontatetraenoate.
The molecule O=C(OCCCCCCCCCCC)C1=C(NC(=O)C)C=CC(=C1)O O=C(OCCCCCCCCCCC)C1=C(NC(=O)C)C=CC(=C1)O is Anthocidin D. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O(C=1C2=C(C3(C(CC2)C(=C(CC3)C(O)=O)C)C)C=CC1C(C)C)C O(C=1C2=C(C3(C(CC2)C(=C(CC3)C(O)=O)C)C)C=CC1C(C)C)C is A tricyclic diterpenoid with formula C21H28O3, originally isolated from Tripterygium hypoglaucum. It has the role of plant metabolite . It is also related to or classified as monomethoxybenzene , alpha,beta-unsaturated monocarboxylic acid , tricyclic diterpenoid .
The molecule NCCCS(O)(=O)=O NCCCS(O)(=O)=O is an amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid. It has the role of anticonvulsant . It has the role of GABA agonist . It has the role of nootropic agent . It has the role of anti-inflammatory agent . It has the role of algal metabolite . It is also related to or classified as amino sulfonic acid .
The molecule C([C@H]([C@H]([C@@H](C(=O)C(=O)[O-])O)O)O)O is a keto-D-gluconate that is the conjugate base of 2-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group. It is a 2-oxo monocarboxylic acid anion and a keto-D-gluconate. It derives from a D-gluconate. It is a conjugate base of a 2-dehydro-D-gluconic acid.
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O is A purine ribonucleoside 5'-tetraphosphate compound having a 5'-adenosyl residue at the P(1)-position and a 5'-guanosyl residue at the P(4)-position. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as purine ribonucleoside 5'-tetraphosphate , adenosine 5'-phosphate , guanosine 5'-phosphate .
The molecule CP(=O)(CC[C@H](C(=O)[O-])[NH3+])O is an amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of (2R)-glufosinate. It is a conjugate acid of a (2R)-glufosinate zwitterion(1-). It is an enantiomer of a glufosinate-P zwitterion. It is a tautomer of a (2R)-glufosinate.
The molecule C1C(N2C1CC(C2C(O)=O)SCCN)=O C1C(N2C1CC(C2C(O)=O)SCCN)=O is A beta-lactam that is 7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid carrying an additional (2-aminoethyl)sulfanyl substituent at position 3. An intermediate in the biosynthesis of carbapenem. It has the role of bacterial metabolite .    It is also related to or classified as beta-lactam  . It is also related to or classified as aliphatic sulfide , monocarboxylic acid , organic heterobicyclic compound , primary amino compound .
The molecule C(CC#C/C=C/C(=O)O)/C=C/CO is a polyunsaturated fatty acid that is deca-2,8-dien-4-ynoic acid substituted at position 10 by a hydroxy group (the 2E,8E-geoisomer) It has a role as a metabolite. It is a straight-chain fatty acid, a medium-chain fatty acid, an acetylenic fatty acid and a hydroxy polyunsaturated fatty acid.
The molecule O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C([C@@H]4CC3)=O)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C O=C1C=C2[C@@]3(O)[C@@]([C@]4(C=5NC=6C=CC=CC6C5C([C@@H]4CC3)=O)C)(CC[C@@H]2O[C@@H]1C(O)(C)C)C is Penerpene H. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O(C=1[N+](=NC=C(C1)N)C2=CC=CC=C2)C O(C=1[N+](=NC=C(C1)N)C2=CC=CC=C2)C is A pyridazinium ion that is pyridazin-1-ium which is substituted by a phenyl, amino and methoxy groups at positions 1, 4 and 6, respectively. It has the role of antihypotensive agent . It has the role of sympathomimetic agent . It has the role of adrenergic uptake inhibitor . It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor .   It is also related to or classified as primary arylamine  . It is also related to or classified as pyridazinium ion , aromatic ether .
The molecule O1C(OC=2C3=C(OC(C=C3)(C)C)C=CC2CCC(=O)C4=CC=CC=C4)C(O)C(O)C(O)C1C(O)=O O1C(OC=2C3=C(OC(C=C3)(C)C)C=CC2CCC(=O)C4=CC=CC=C4)C(O)C(O)C(O)C1C(O)=O is 6-{[2,2-dimethyl-6-(3-oxo-3-phenylpropyl)-2H-chromen-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@@H](O)[C@H](O[C@@H](O)[C@@H]3O)CO)CO O1[C@@H]([C@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@H]1O[C@H]3[C@@H](O)[C@H](O[C@@H](O)[C@@H]3O)CO)CO is A beta-D-Galp-(1->4)-alpha-D-Galp-(1->3)-D-Galp in which the carbon bearing the anomeric hydroxy group has beta- configuration. Its functional parent is beta-D-Galp-(1->4)-alpha-D-Galp . Its functional parent is alpha-D-Galp-(1->3)-beta-D-Galp . It is also related to or classified as beta-D-Galp-(1->4)-alpha-D-Galp-(1->3)-D-Galp  .
The molecule [O-]C(=O)c1ccccc1NC=O [O-]C(=O)c1ccccc1NC=O is an amidobenzoate consisting of anthranilate carrying an N-formyl group. It has the role of human metabolite . Its functional parent is anthranilate . It is also related to or classified as amidobenzoate .
The molecule CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)CO)O is a member of the class of adenosines that is adenosine in which the hydroxy group at position 2' is replaced by a methoxy group. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as a fungal metabolite. It is a member of adenosines and an ether. It derives from an adenosine.
The molecule COc1ccc(O)c2c1oc1ccc(O)cc1c2=O COc1ccc(O)c2c1oc1ccc(O)cc1c2=O is A member of the class of xanthones that is 9H-xanthene substituted by hydroxy groups at positions 1 and 7, a methoxy group at position 4 and an oxo group at position 9. It has been isolated from the stems of Cratoxylum cochinchinense. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , xanthones .
The molecule CN(C)CCCNC(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2F CN(C)CCCNC(=O)C[C@H]1C=C[C@@H]([C@H](O1)CO)NC(=O)C2=CC=CC=C2F is N-[(2S,3S,6S)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O1C2=C(C(=O)C=C1C=3C(OC)=CC=CC3O)C(O)=CC(O)=C2OC O1C2=C(C(=O)C=C1C=3C(OC)=CC=CC3O)C(O)=CC(O)=C2OC is 5,7,2'-Trihydroxy-8,6'-dimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12CC[C@@]3([H])[C@@]4(CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]4C=O)C(OC(=O)[C@]3(C1)C(=O)C2=C)C(C)=O [H][C@@]12CC[C@@]3([H])[C@@]4(CC[C@H](O)[C@@](C)(COC(C)=O)[C@H]4C=O)C(OC(=O)[C@]3(C1)C(=O)C2=C)C(C)=O is 3-acetyltrichorabdal C. It has the role of metabolite . It is also related to or classified as delta-lactone  .
The molecule C(=O)(N)OP(=O)(O)O is a one-carbon compound and an acyl monophosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a carbamoyl phosphate(2-).
The molecule [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@]([H])(OC(C)=O)[C@]3([H])C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O [H][C@]12OC(=O)[C@@H](C)[C@H](C)c3ncccc3C(=O)OC[C@]3(C)O[C@@]4([C@]([H])(OC(C)=O)[C@]3([H])C(=O)[C@@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)[C@@]2(C)O is evonine. It is also related to or classified as pyridine alkaloid , pyridine alkaloid fundamental parent .
The molecule CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(O)cc1 CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1ccc2nc([nH]c2c1)-c1ccc(O)cc1 is pibenzimol. It has the role of anthelminthic drug . It has the role of fluorochrome . It is also related to or classified as bibenzimidazole , N-methylpiperazine .
The molecule O([C@H]1[C@H](O)[C@H](OC(O)[C@H]1O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)COP(=O)(O)O O([C@H]1[C@H](O)[C@H](OC(O)[C@H]1O)CO)[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)COP(=O)(O)O is A disaccharide phosphate consisting of 6-phospho-alpha-D-mannopyranose and D-mannopyranose residues joined in sequence by a (1->3) glycosidic bond. It is also related to or classified as disaccharide phosphate .
The molecule COCCOCCC(=O)O is a monocarboxylic acid that is propanoic acid substituted at C-3 by a 2-methoxyethoxy group. It has a role as a metabolite. It is a monocarboxylic acid and an ether.
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@@H]3[C@H]([C@@H]([C@H](OC3O)CO)O)O)O)O)O)CO)O)O is an amino trisaccharide consisting of 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-glucopyranose and D-glucopyranose residues joined in sequence by (1->6) and (1->2) glycosidic bonds. It is an amino trisaccharide and a member of acetamides. It derives from an alpha-D-Glcp-(1->2)-D-Glcp.
The molecule CC1=C(NC(=O)N=C1)OC is a methylthymine in which the methyl group is located at the O4-position. It has a role as a human metabolite. It is an aromatic ether and a methylthymine.
The molecule ClCC(Cl)Cl ClCC(Cl)Cl is A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. It is also related to or classified as chloroethanes .
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-42530. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)NCCS(=O)(=O)[O-] is a fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-oleoyltaurine; major species at pH 7.3. It is a conjugate base of a N-oleoyltaurine.
The molecule O(CC(CCCCCC)CCCC)S(O)(=O)=O O(CC(CCCCCC)CCCC)S(O)(=O)=O is an alkyl sulfate that is the mono(2-butyloctyl) ester of sulfuric acid. It has the role of surfactant . Its functional parent is 2-butyl-1-octanol . It is a conjugate acid of 2-butyloctyl sulfate . It is also related to or classified as alkyl sulfate .
The molecule CN1CC(=O)NC1=O CN1CC(=O)NC1=O is A imidazolidine-2,4-dione that is the N-methyl-derivative of hydantoin. It has the role of bacterial metabolite . Its functional parent is hydantoin . It is also related to or classified as imidazolidine-2,4-dione .
The molecule CN(C)CCCNC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F CN(C)CCCNC(=O)C[C@@H]1C=C[C@H]([C@@H](O1)CO)NC(=O)C2=CC=CC=C2F is N-[(2R,3R,6R)-6-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule O(C1C(O)C(O)C(OC1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO)C5OCC(O)(C5O)CO O(C1C(O)C(O)C(OC1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)CO)C5OCC(O)(C5O)CO is Formononetin 7-O-apiosyl-(1->2)-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule [H][C@]12CC[C@@]34C[C@H](CC[C@@]3([H])[C@]1(C)CC[C@H](O)C2(C)C)[C@](C)(O)C4 [H][C@]12CC[C@@]34C[C@H](CC[C@@]3([H])[C@]1(C)CC[C@H](O)C2(C)C)[C@](C)(O)C4 is entkaurane-3beta,16beta-diol. It has the role of metabolite . It is also related to or classified as kaurane diterpenoid .
The molecule C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)OS(=O)(=O)[O-])O)OS(=O)(=O)[O-])OS(=O)(=O)[O-])[O-] is a flavonoid oxoanion that is a tetraanionic form of quercetin 3,3',7-trissulfate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a flavonoid oxoanion and an aryl sulfate oxoanion. It is a conjugate base of a quercetin 3,3',7-trissulfate(3-).
The molecule O=C1O[C@H](C(=O)NC[C@@H](O)C[C@H](O)[C@H](O)CCC(=CC=CC(CCCC(CCCC[C@H](C[C@@H]1C)C)=O)CC)COC)CCC O=C1O[C@H](C(=O)NC[C@@H](O)C[C@H](O)[C@H](O)CCC(=CC=CC(CCCC(CCCC[C@H](C[C@@H]1C)C)=O)CC)COC)CCC is Myxovirescin A1. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C(CON=C(N)N)[C@@H](C(=O)O)N is a non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic. It has a role as a phytogenic insecticide and a plant metabolite. It derives from a L-homoserine. It is a conjugate base of a L-canavanine(1+). It is a tautomer of a L-canavanine zwitterion.
The molecule CCCNC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3 CCCNC(=O)N(C)C[C@@H]1[C@H]([C@@H](N1C(=O)C2=CC=CC=C2)CO)C3=CC=CC=C3 is 1-[[(2S,3R,4R)-1-benzoyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-1-methyl-3-propylurea. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCC(CCC)C(=O)O is a branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem. It has a role as an anticonvulsant, a GABA agent, an EC 3.5.1.98 (histone deacetylase) inhibitor, a teratogenic agent, a psychotropic drug, a neuroprotective agent and an antimanic drug. It is a branched-chain saturated fatty acid and a branched-chain fatty acid. It derives from a valeric acid. It is a conjugate acid of a valproate.
The molecule CCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCC is a phosphatidylglycerol in which the phosphatidyl acyl groups are both lauroyl. It is a phosphatidylglycerol and a dodecanoate ester. It derives from a dodecanoic acid.
The molecule CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3ccc(O)cc3c(=O)c2c1O is A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 7, an oxo group at position 9 and prenyl groups at positions 2 and 4. It has been isolated from the stems of Cratoxylum cochinchinense. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as phenols  . It is also related to or classified as xanthones .
The molecule O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(C4=CC(O)=C(O)C=C4)=CC(OC3C=C(OC)C2)=O)CO O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC=2C=3C(C4=CC(O)=C(O)C=C4)=CC(OC3C=C(OC)C2)=O)CO is 5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-galactoside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(NC)C(C5O)OC6OCC(O)C(C6O)O)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)NCC(=O)O O=C1C2=C(O)C=3C4=C(O)C(=C(C)C=C4[C@H](OC5OC(C(NC)C(C5O)OC6OCC(O)C(C6O)O)C)[C@H](C3C=C2C(=O)C7=C1C=C(OC)C=C7O)O)C(=O)NCC(=O)O is Pradimicin D. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .