anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C=CC#N is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group. It has a role as a carcinogenic agent, an antifungal agent, a fungal metabolite, a polar aprotic solvent and a mutagen. It is an aliphatic nitrile and a volatile organic compound.
The molecule O([C@@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C[C@](O)(C[C@H]1O)C(=O)O)C(=O)/C=C/C3=CC(O)=C(O)C=C3 O([C@@H]1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)C[C@](O)(C[C@H]1O)C(=O)O)C(=O)/C=C/C3=CC(O)=C(O)C=C3 is 4,5-di-O-caffeoylquinic acid. It is a conjugate acid of 4,5-di-O-caffeoyl quinate . It is also related to or classified as quinic acid .
The molecule CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C is a member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 5. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor. It has a role as a metabolite and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.
The molecule C1(CCCCC1)C(C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O C1(CCCCC1)C(C2=CC=CC=C2)(C(OCC#CCN(CC)CC)=O)O is A carboxylic ester resulting from the formal condensation of the carboxy group of cyclohexyl(hydroxy)phenylacetic acid with the hydroxy group of 4-(diethylamino)but-2-yn-1-ol. It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  .  It is also related to or classified as acetylenic compound  . It is also related to or classified as tertiary amino compound .
The molecule O1C([C@@H](O)[C@H](O)C(N)[C@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO O1C([C@@H](O)[C@H](O)C(N)[C@H]1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(OC)=C(O)C=C4)CO is Isorhamnetin 7-alpha-D-Glucosamine. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])C)O)[H])C C1[C@@]2([C@]3(C[C@@H]([C@]4([C@]([C@@]3([C@@H](C[C@@]2(C[C@@H](C1)O)[H])OS([O-])(=O)=O)[H])(CC[C@]4([H])[C@@H](CCC(NCCS([O-])(=O)=O)=O)C)[H])C)O)[H])C is A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of taurocholic acid 7-sulfate; major species at pH 7.3. Its functional parent is taurocholate . It is also related to or classified as steroid sulfate oxoanion .
The molecule C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O)O)O is an anthocyanin cation consisting of cyanidin having a 6-O-malonyl-beta-D-glucosyl residue attached at the 3-hydroxy position. It is an anthocyanin cation and a beta-D-glucoside. It derives from a cyanidin cation.
The molecule O=C1N([C@@](C(=O)O)(CO)[C@]([C@H]1C)(O)[C@@H](OC)C[C@H]([C@@H](O)C=CC=CCNC(=O)C([C@H](O)C(=CC=CC=CCC=2OC=NC2)C)(C)C)C)C O=C1N([C@@](C(=O)O)(CO)[C@]([C@H]1C)(O)[C@@H](OC)C[C@H]([C@@H](O)C=CC=CCNC(=O)C([C@H](O)C(=CC=CC=CCC=2OC=NC2)C)(C)C)C)C is Oxazolomycin A2. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCN CCCCN is A primary aliphatic amine that is butane substituted by an amino group at position 1. It is also related to or classified as primary aliphatic amine  .
The molecule O=C(N)C(CCNC(C)C)(C1=CC=CC=C1)C=2N=CC=CC2 O=C(N)C(CCNC(C)C)(C1=CC=CC=C1)C=2N=CC=CC2 is mono-isopropyl-disopyramide. Its functional parent is gamma-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C1CCOC1 C1CCOC1 is A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. It has the role of polar aprotic solvent . It is also related to or classified as volatile organic compound , oxolanes , saturated organic heteromonocyclic parent , cyclic ether .
The molecule C([C@H](CS)N)(=O)N[C@H](C(=O)O)CS C([C@H](CS)N)(=O)N[C@H](C(=O)O)CS is A dipeptide formed from two L-cysteine residues. It has the role of Mycoplasma genitalium metabolite . Its functional parent is L-cysteine . It is also related to or classified as dipeptide  .
The molecule Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO[N+]([O-])=O)[C@@H](O)[C@H]1O is guanosine substituted at the ribosyl 5'-position by a nitro group. It is also related to or classified as nitroguanosine .
The molecule OC(=O)[C@]1([C@@]2([C@](C=3[C@@]4(CC2)C[C@H](C(C4)=C)CC3)(CCC1)C)[H])C OC(=O)[C@]1([C@@]2([C@](C=3[C@@]4(CC2)C[C@H](C(C4)=C)CC3)(CCC1)C)[H])C is A tetracyclic diterpenoid with formula C20H28O2 which exhibits anti-inflammatory, antibacterial, antileishmanial and wound-healing properties. It has the role of antibacterial agent . It has the role of anti-inflammatory agent . It has the role of antileishmanial agent . It has the role of vulnerary . It has the role of plant metabolite . It is also related to or classified as monocarboxylic acid , ent-kaurane diterpenoid , tetracyclic diterpenoid .
The molecule CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 is PD173955. It has the role of tyrosine kinase inhibitor . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as pyridopyrimidine  . It is also related to or classified as methyl sulfide  . It is also related to or classified as aryl sulfide .
The molecule COB(OC)OC COB(OC)OC is A member of the class of borate esters obtained by the formal condensation of three equivalents of methanol with boric acid. It is also related to or classified as borate esters .
The molecule CCOP(=S)(OCC)OC1=NN(C(=O)C=C1)C2=CC=CC=C2 is an organic thiophosphate, an organothiophosphate insecticide and a pyridazinone. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It derives from a 6-hydroxy-2-phenylpyridazin-3-one.
The molecule CNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)C2=NC=N1 CNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)C2=NC=N1 is A methyladenosine compound in which two methyl groups are attached to N(6) of the adenine nucleobase and O(2) of the sugar. Its functional parent is adenosine . It is also related to or classified as methyladenosine .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)N)O[C@@H]3[C@@H]([C@H]([C@H](O[C@@H]3C(=O)O)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[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)[C@H](CO)O)O[C@@H]7[C@@H](C[C@@](O[C@@H]7[C@@H](CO[C@@H]8[C@@H]([C@H]([C@H](CO8)N)O)O)O)(C(=O)O)O)O[C@@]9(C[C@H]([C@H]([C@H](O9)[C@@H](CO)O)O)O)C(=O)O)O)[C@H](CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)OP(=O)(O)OCCN)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@@H](CO)O)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)[C@H](CO)O)O)O)O)O)COC(=O)C)CO)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O is an oligosaccharide derivative that is a tridecasaccharide derivative, the oligosaccharide portion of the Proteus penneri strain 103 lipopolysaccharide (LPS) core region.
The molecule O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C(O)=O is A L-glucopyranuronic acid with an alpha-configuration at the anomeric position. It is also related to or classified as L-glucopyranuronic acid  .
The molecule OCC(O)[C@H]1OC(=O)C(OS(O)(=O)=O)=C1O OCC(O)[C@H]1OC(=O)C(OS(O)(=O)=O)=C1O is ascorbic acid 2-sulfate. Its functional parent is ascorbic acid . It is also related to or classified as monosaccharide sulfate , ascorbic acid derivative .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)([O-])[O-] is a doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of beta-D-glucose 6-phosphate; major species at pH 7.3. It has a role as a fundamental metabolite. It is a conjugate base of a beta-D-glucose 6-phosphate.
The molecule Oc1c[nH]c2ccccc12 Oc1c[nH]c2ccccc12 is A member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3. It is also related to or classified as heteroaryl hydroxy compound , hydroxyindoles .
The molecule C1=C(C(=CC=2C1=NC=NC2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4)OC C1=C(C(=CC=2C1=NC=NC2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4)OC is A member of the class of quinazolines that is quinazoline which is substituted by a (3-chloro-4-fluorophenyl)nitrilo group, 3-(morpholin-4-yl)propoxy group and a methoxy group at positions 4,6 and 7, respectively. An EGFR kinase inhibitor used for the treatment of non-small cell lung cancer. It has the role of antineoplastic agent . It has the role of epidermal growth factor receptor antagonist .       It is also related to or classified as monofluorobenzenes  . It is also related to or classified as aromatic ether , quinazolines , morpholines , secondary amino compound , tertiary amino compound , monochlorobenzenes .
The molecule C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\C/C=C\CCCCC C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\C/C=C\CCCCC is S-(9Z,12Z-octadecadienoyl)-4'-phosphopantetheine(2-). Its functional parent is linoleoyl-CoA(4-) . It is also related to or classified as S-acyl-4'-phosphopantetheine(2-)  .
The molecule O=C(N(C=1C=CC=CC1)C2CCNCC2)C O=C(N(C=1C=CC=CC1)C2CCNCC2)C is A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenylpiperidin-4-amine with acetic acid. It is a metabolite of acetylfentanyl. It has the role of drug metabolite . It is also related to or classified as anilide  .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as acetamides .
The molecule C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](O)[C@H](O)[C@H]1O is A GDP-sugar having 6-deoxy-L-mannose as the sugar component. Its functional parent is GDP-L-mannose . It is also related to or classified as GDP-sugar  .
The molecule [H][C@@]12CC[C@H](C)CN1C[C@]1([H])[C@]([H])(CC[C@@]3([H])[C@]4([H])CC[C@]5([H])CCCC[C@]5(C)[C@@]4([H])C[C@@]13[H])[C@H]2C [H][C@@]12CC[C@H](C)CN1C[C@]1([H])[C@]([H])(CC[C@@]3([H])[C@]4([H])CC[C@]5([H])CCCC[C@]5(C)[C@@]4([H])C[C@@]13[H])[C@H]2C is cevane. It is also related to or classified as steroid  . It is also related to or classified as steroid alkaloid fundamental parent .
The molecule O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)C O(C1C(O)C(O)C(OC1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(O)C=C4)COC5OC(C(O)C(O)C5O)C)C6OC(C(O)C(OC7OC(C(O)C(O)C7O)CO)C6O)C is 3-({3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4,5-dihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl}oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one. 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](/C=C/C=C\\C=C\\C(=O)CCCC(=O)O)O is an icosanoid that is (6E,8Z,10E,14Z)-icosatetraenoic acid substituted at positions 5 and 12 by oxo and hydroxy groups respectively. It has a role as a human blood serum metabolite. It is an enone, an icosanoid, a long-chain fatty acid, an oxo fatty acid and a hydroxy polyunsaturated fatty acid.
The molecule CC/C=C\\C[C@@H](/C=C/C=C\\CCCCCCCC(=O)O)OO is a lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13S-stereoisomer). Biochemically, it is an 18-C rearrangement and primary peroxidation product of alpha-linolenic acid, an intermediate in prostaglandin and leukotriene metabolism, and the substrate of the lyase enzyme hydroperoxide dehydratase. It is a lipid hydroperoxide, a trienoic fatty acid and a hydroperoxyoctadecatrienoic acid. It derives from a (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid. It is a conjugate acid of a (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate. It is an enantiomer of a (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid.
The molecule NC(=O)[C@@H]1C[NH2+]CCN1 NC(=O)[C@@H]1C[NH2+]CCN1 is conjugate acid of (S)-piperazine-2-carboxamide arising from selective protonation at the 4-position. It is a conjugate acid of (S)-piperazine-2-carboxamide . It is also related to or classified as ammonium ion derivative .
The molecule C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCCCC C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCCCC is S-(9Z-hexadecenoyl)-4'-phosphopantetheine(2-). Its functional parent is palmitoleoyl-CoA(4-) . It is also related to or classified as S-acyl-4'-phosphopantetheine(2-)  .
The molecule NC(=[NH2+])NCCCCNC(N)=[NH2+] NC(=[NH2+])NCCCCNC(N)=[NH2+] is dication of 1,4-diguanidinobutane arising from deprotonation of both guanidino groups; major species at pH 7.3. It is a conjugate acid of 1,4-diguanidinobutane . It is also related to or classified as guanidinium ion  .
The molecule Oc1ccc(cc1)C(=O)C([O-])=O Oc1ccc(cc1)C(=O)C([O-])=O is conjugate base of 4-hydroxyphenylglyoxylic acid. It is also related to or classified as 2-oxo monocarboxylic acid anion  .
The molecule C[C@H](CCCCC[C@H](CC(=O)O)O)O is an (omega-1)-hydroxy fatty acid that is (9R)-9-hydroxydecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid, a 3-hydroxy carboxylic acid, a medium-chain fatty acid and a dihydroxy monocarboxylic acid. It derives from a (9R)-9-hydroxydecanoic acid.
The molecule [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)OCC2=CNC(N=C2N)=O)CO)O)O [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1O)OCC2=CNC(N=C2N)=O)CO)O)O is A beta-D-glucoside derived from formal condensation of the hydroxy group of 5-(hydroxymethyl)cytosine with the anomeric hydroxy group of D-glucopyranose. Its functional parent is 5-(hydroxymethyl)cytosine . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as pyrimidone , aminopyrimidine .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(OC)C2)COC(=O)CC(O)=O O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C3=C(OC(=CC3=O)C4=CC=C(O)C=C4)C=C(OC)C2)COC(=O)CC(O)=O is Apigenin 7-methyl ether 5-(6''-malonylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@@]2([C@@](C(CC1)(C)C)(CC[C@]3([C@]2(CCC([C@@]3(CC=4C=C(C=C(C4O)O)C(O)=O)[H])=C)[H])C)[H])C C1[C@@]2([C@@](C(CC1)(C)C)(CC[C@]3([C@]2(CCC([C@@]3(CC=4C=C(C=C(C4O)O)C(O)=O)[H])=C)[H])C)[H])C is meroterpenoid from Scytonema sp. cyanobacteria mutant. It is also related to or classified as organic molecular entity .
The molecule [35SH2] is the radioactive isotope of sulfur with relative atomic mass 34.9690322 and nuclear spin (3)/2. The longest-lived sulfur radionuclide with half-life of 87.5 days.
The molecule C[C@H](O)[C@H]([NH3+])C([O-])=O C[C@H](O)[C@H]([NH3+])C([O-])=O is zwitterionic form of L-allothreonine. It is also related to or classified as L-alpha-amino acid zwitterion  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)CO)O[C@@H]4[C@H]([C@H](O[C@@H]([C@@H]4O)CO)O)NC(=O)C)NC(=O)C)CO)O)O)O)O)O is a tetrasaccharide derivative consisting of alpha-L-fucose, beta-D-galactose and two N-acetyl-alpha-D-galactosamine residues joined in sequence by (1->2), (1->3) and (1->3) glycosidic bonds. It is an amino sugar and a tetrasaccharide derivative.
The molecule Oc1ccccc1C=N Oc1ccccc1C=N is phenol with an iminomethyl substituent at the 2-position; the parent of the class of salicylaldehyde imines. It is also related to or classified as salicylaldehyde imines .
The molecule CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=CC(=[N+](CC)CC)C=C4O2.CCNC1=CC2=C(C3=CC=CC=C31)N=C4C=CC(=[N+](CC)CC)C=C4O2.[O-]S(=O)(=O)[O-] is the sulfate salt of ethyl nile blue. It has a role as a fluorochrome. It contains an ethyl nile blue(1+).
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC([C@H](C(NCCC(NCCSC(=O)CCCCCCC/C=C\CCCCCC)=O)=O)O)(C)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@H](C(NCCC(NCCSC(=O)CCCCCCC/C=C\CCCCCC)=O)=O)O)(C)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A hexadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of palmitoleyl-CoA. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as hexadecenoyl-CoA(4-)  .
The molecule CNc1ccc(O)cc1 CNc1ccc(O)cc1 is the phenol that is the N-methyl derivative of 4-aminophenol. It has the role of allergen . Its functional parent is 4-aminophenol . It is also related to or classified as phenols  .
The molecule O1[C@@H](OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2)C(O)[C@@H](O)[C@H](O)C1 O1[C@@H](OC=2C3=C(OC(=CC3=O)C4=CC=CC=C4)C=C(O)C2)C(O)[C@@H](O)[C@H](O)C1 is Chrysin 5-xyloside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule Nc1nc(=O)[nH]cc1CO Nc1nc(=O)[nH]cc1CO is A nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a hydroxymethyl group. It has the role of mouse metabolite . It has the role of human metabolite . Its functional parent is cytosine . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as pyrimidone , aminopyrimidine , nucleobase analogue .
The molecule CCOB(OCC)OCC CCOB(OCC)OCC is A member of the class of borate esters obtained by the formal condensation of three equivalents of ethanol with boric acid. Its functional parent is ethanol . It is also related to or classified as borate esters .
The molecule C1C(=NC2=C(N1)N=C(NC2=O)N)[C@@H]([C@H](CO)O)O is a dihydropterin that is monapterin dihydrogenated at positions 7 and 8. It is a dihydropterin and a member of neopterins.
The molecule C1C[C@H]([C@@H]2[C@H]1C(CC[C@@H]3[C@H]2C3(C)C)=C)C C1C[C@H]([C@@H]2[C@H]1C(CC[C@@H]3[C@H]2C3(C)C)=C)C is sesquiterpene from Agelas clathrodes. It is also related to or classified as organic molecular entity .
The molecule N1(C(O[C@@H]([C@@H]1C)C2=CC(=CC=C2)C(F)(F)F)=O)C(=O)NCC=3C4=C(C=NC3)C=CC=C4 N1(C(O[C@@H]([C@@H]1C)C2=CC(=CC=C2)C(F)(F)F)=O)C(=O)NCC=3C4=C(C=NC3)C=CC=C4 is A member of the class of oxazolidinones that is oxazolidin-2-one substituted at positions 3, 4 and 5 by 3-(isoquinolin-4-ylmethyl)carbamoyl, methyl and 3-(trifluoromethyl)phenyl groups respectively. An inhibitor of teichoic acid biosynthesis. It has the role of teichoic acid biosynthesis inhibitor . Its functional parent is oxazolidin-2-one .   It is also related to or classified as dicarboximide  . It is also related to or classified as carbamate ester , isoquinolines , oxazolidinone , N-acylurea , (trifluoromethyl)benzenes .
The molecule [H]C(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1O [H]C(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1O is salicylaldehyde imine with a tosyl (toluene-p-sulfonyl) group bonded to the imine N atom. It is also related to or classified as salicylaldehyde N-tosylimines .
The molecule C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCC C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(=O)CCCCCCC/C=C\CCCC is S-(9Z-tetradecenoyl)-4'-phosphopantetheine(2-). Its functional parent is (9Z)-myristoleoyl-CoA(4-) . It is also related to or classified as S-acyl-4'-phosphopantetheine(2-)  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O is a 5-alkylresorcinol that is resorcinol which is substituted by a tricosyl group at position 5. It is found in wheat bran. It has a role as a plant metabolite and a bacterial metabolite.
The molecule OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O OC[C@H]1O[C@H](O)[C@@H](F)[C@@H](O)[C@@H]1O is 2-deoxy-2-fluoro-alpha-D-mannose. Its functional parent is alpha-D-mannose . It is also related to or classified as 2-deoxy-2-fluoro-D-mannopyranose  .
The molecule O[C@H](CC/C=C\C/C=C\CCCC(O)=O)C/C=C\CCCCC O[C@H](CC/C=C\C/C=C\CCCC(O)=O)C/C=C\CCCCC is 12R-HETrE. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
The molecule C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(CCC(CCCC(C)C)C)=O C(NC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)CSC(CCC(CCCC(C)C)C)=O is S-4,8-dimethylnonanoyl-4'-phosphopantetheine(2-). Its functional parent is 4,8-dimethylnonanoyl-CoA(4-) . It is also related to or classified as S-acyl-4'-phosphopantetheine(2-)  .
The molecule O1C([C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)C(O)[C@@H]1OC3=C(C=4O[C@@H](CC(=O)C4C(O)=C3C)C5=CC=C(OC)C=C5)C)COC(=O)C6=CC(O)=C(O)C(O)=C6 O1C([C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](O)C(O)[C@@H]1OC3=C(C=4O[C@@H](CC(=O)C4C(O)=C3C)C5=CC=C(OC)C=C5)C)COC(=O)C6=CC(O)=C(O)C(O)=C6 is Matteucinol-7-O- [ 4",6"-di-O-galloyl ] -beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](O)C[C@H]1O C[C@H]1OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c2nc(N)[nH]c3=O)[C@H](O)C[C@H]1O is A GDP-sugar having 3,6-dideoxy-D-galactose as the sugar component. Its functional parent is GDP-D-galactose . It is also related to or classified as GDP-sugar  .
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)CCCCC/C=C\\C/C=C\\CCCCC is a galactoglycerolipid that consists of 1,2-diacyl-sn-glycerol having (7Z,10Z)-hexadecadienoyl and linoleoyl as the acyl groups and a 6-O-(alpha-D-galactopyranosyl)-beta-D-galactopyranosyl residue attached at position 3. It has been found in Daphnia pulex and exhibits cytotoxic activity. It has a role as a Daphnia pulex metabolite and an antineoplastic agent. It is a galactoglycerolipid and a disaccharide derivative.
The molecule CC(C)CCCC(C)CCC(=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 CC(C)CCCC(C)CCC(=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 an acyl-CoA oxoanion that results from the removal of all four protons from the phosphate groups of 4,8-dimethylnonanoyl-CoA. Major species at pH 7.3.  It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as multi-methyl-branched fatty acyl-CoA(4-) .
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)OC1OP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O is dianion of UDP-N-acetyl-D-galactosamine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as nucleotide-sugar oxoanion .
The molecule C1CC(=CCCC(=CCC(CCC(=C1)C)C(C)=C)C)C C1CC(=CCCC(=CCC(CCC(=C1)C)C(C)=C)C)C is diterpene produced by Amycolatopis arida. It is also related to or classified as organic molecular entity .
The molecule C1=CC2=C(C=C1Cl)NC=C2C[C@@H](C(=O)[O-])[NH3+] is an L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the alpha-amino group of 6-chloro-L-tryptophan; major species at pH 7.3. It is a tautomer of a 6-chloro-L-tryptophan.
The molecule C(\[C@H](CCCC(O)=O)O)=C\C=C\C=C\[C@@H](C/C=C\C=C\C(CC)=O)O C(\[C@H](CCCC(O)=O)O)=C\C=C\C=C\[C@@H](C/C=C\C=C\C(CC)=O)O is A nonclassic icosanoid that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid carrying two hydroxy groups at positions 5 and 12 as well as an oxo group at position 18. It has the role of human xenobiotic metabolite . It is a conjugate acid of 18-oxoresolvin E1(1-) .  It is also related to or classified as long-chain fatty acid  . It is also related to or classified as enone  . It is also related to or classified as hydroxy polyunsaturated fatty acid , oxo fatty acid , nonclassic icosanoid .