anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(C(CCCCCCCCC)C)C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O C(C(CCCCCCCCC)C)C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-methyldodecanoyl-CoA; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as 3-methyl fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule NC[C@@H](O)C[C@@H](O)CNC[C@H](O)C[C@H](O)CN NC[C@@H](O)C[C@@H](O)CNC[C@H](O)C[C@H](O)CN is an aminoalcohol that is N(1)-(5-aminopentyl)pentane-1,5-diamine substituted by hydroxy groups at positions 2, 2', 4 and 4' (the 2R,4S,2'R,4'S-stereoisomer). It is a toxin produced by several plant species and the casual agent of gousiekte (''quick'' disease). It has the role of phytotoxin . It has the role of protein synthesis inhibitor . It has the role of cardiotoxic agent .   It is also related to or classified as secondary alcohol  . It is also related to or classified as triamine  . It is also related to or classified as amino alcohol , tetrol , primary amino compound , secondary amino compound .
The molecule O1[C@@H](OC=2C=3CC[C@H](OC3C=C(O)C2)C4=CC(O)=C(O)C=C4)C(OC(=O)/C=C/C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C1 O1[C@@H](OC=2C=3CC[C@H](OC3C=C(O)C2)C4=CC(O)=C(O)C=C4)C(OC(=O)/C=C/C5=CC(O)=C(O)C=C5)[C@@H](O)[C@H](O)C1 is Viscutin 2. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(C(CCCCCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O C(C(CCCCCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methyldodecanoyl-CoA; major species at pH 7.3. Its functional parent is 3-methyldodecanoyl-CoA(4-) .  It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule O.[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO O.[H][C@@]1(OC(=O)C(=O)C1=O)[C@@H](O)CO is A hydrate that is the monohydrate of L-dehydroascorbic acid. It is also related to or classified as vitamin C , hydrate .
The molecule C(CCCCCCCCC[C@H](C(=O)[H])O)CCCC C(CCCCCCCCC[C@H](C(=O)[H])O)CCCC is A 2-hydroxyhexadecanal having R configuration. It is also related to or classified as 2-hydroxyhexadecanal  .
The molecule CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc12 CN1C(=O)C(O)N=C(c2ccccc2Cl)c2cc(Cl)ccc12 is A 1,4-benzodiazepinone compound having a methyl substituent at the 1-position, a hydroxy substituent at the 3-position, a 2-chlorophenyl group at the 5-position and a chloro substituent at the 7-position. It has the role of sedative .  It is also related to or classified as organochlorine compound  . It is also related to or classified as 1,4-benzodiazepinone .
The molecule C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)C=C(O)C1=O C[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=C(C)C(=O)NC2=O)C=C(O)C1=O is A dTDP-sugar having 2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose as the sugar component. Its functional parent is dTDP-D-glucose . It is a conjugate acid of dTDP-2,3-dehydro-2,6-dideoxy-4-keto-alpha-D-glucose(2-) . It is also related to or classified as dTDP-sugar  .
The molecule C(C(CCCCCC)C)C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O C(C(CCCCCC)C)C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-methylnonanoyl-CoA; major species at pH 7.3. It is also related to or classified as saturated fatty acyl-CoA(4-)  . It is also related to or classified as 3-methyl fatty acyl-CoA(4-)  . It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule C(C(CCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O C(C(CCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methylnonanoyl-CoA; major species at pH 7.3. Its functional parent is 3-methylnonanoyl-CoA(4-) .  It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule [H][As](O)[O-] [H][As](O)[O-] is arsonite(1-). It is a conjugate acid of arsonite(2-) . It is also related to or classified as arsenic oxoanion .
The molecule C(C(CCCCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O C(C(CCCCCCCC)C)(C(SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)=O)O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methylundecanoyl-CoA; major species at pH 7.3. Its functional parent is 3-methylundecanoyl-CoA(4-) .  It is also related to or classified as medium-chain fatty acyl-CoA(4-)  . It is also related to or classified as methyl-branched fatty acyl-CoA(4-) .
The molecule C(CCCCCCCCCCC(=O)[H])CCCCC C(CCCCCCCCCCC(=O)[H])CCCCC is A long-chain fatty aldehyde that is heptadecane carrying an oxo substituent at position 1. It is found in citrus. It has the role of coral metabolite . It has the role of plant metabolite . It is also related to or classified as saturated fatty aldehyde  . It is also related to or classified as long-chain fatty aldehyde  . It is also related to or classified as 2,3-saturated fatty aldehyde  .
The molecule C1=[N+](CCC1)CCCC[NH3+] C1=[N+](CCC1)CCCC[NH3+] is major species at pH 7.3. It is also related to or classified as 1-pyrrolinium  . It is also related to or classified as primary ammonium ion  .
The molecule OC(CCCCCCCCCCCCCCCC(O)=O)C OC(CCCCCCCCCCCCCCCC(O)=O)C is 17-hydroxy stearic acid. It is also related to or classified as long-chain fatty acid  .
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(C(CCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CCCC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyhexanoyl-CoA; major species at pH 7.3. It is also related to or classified as medium-chain fatty acyl-CoA(4-)  .
The molecule NC1=NC2=C(NC(=O)C(=O)N2)C(=O)N1 NC1=NC2=C(NC(=O)C(=O)N2)C(=O)N1 is A member of the class of pterins that is 3,4,5,6,7,8-hexahydropteridine substituted by an amino group at position 2 and oxo groups at positions 4, 6 and 7. It is a pigment found in the wings of butterflies. It has the role of biological pigment . It has the role of animal metabolite . It is also related to or classified as pterins .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O is A nucleotide-sugar oxoanion that is the dianion of D-ribofuranosyl-ADP arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is also related to or classified as nucleotide-sugar oxoanion .
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(C(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C(CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A short chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxybutanoyl-CoA; major species at pH 7.3. It is also related to or classified as short chain fatty acyl-CoA(4-)  .
The molecule Oc1ccc(\C=C\C(=O)Cc2cc(O)cc(=O)o2)cc1 Oc1ccc(\C=C\C(=O)Cc2cc(O)cc(=O)o2)cc1 is A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2',4,4',6'-tetrahydroxychalcone-producing reaction pathway. It has the role of plant metabolite . It is also related to or classified as polyketide  . 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 2-pyranones .
The molecule C(=O)([O-])C[C@H]1[C@@H](C(CC1)=O)C/C=C\CC C(=O)([O-])C[C@H]1[C@@H](C(CC1)=O)C/C=C\CC is A jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-jasmonic acid; major species at pH 7.3. It is also related to or classified as jasmonic acid anion  .
The molecule OC(=O)\C=C\c1cccc(O)c1O OC(=O)\C=C\c1cccc(O)c1O is 2,3-dihydroxy-trans-cinnamic acid. It has the role of Escherichia coli metabolite . Its functional parent is trans-cinnamic acid . It is a conjugate acid of 2,3-dihydroxy-trans-cinnamate . It is also related to or classified as 2,3-dihydroxycinnamic acid  .
The molecule C1(=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O)C C1(=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)SC[C@H](NC(CC[C@@H](C([O-])=O)[NH3+])=O)C(NCC([O-])=O)=O)C is 2-glutathionyl-4,6-dinitrotoluene(1-). It is also related to or classified as S-substituted glutathione  . It is also related to or classified as C-nitro compound .
The molecule [Pt++] [Pt++] is platinum(2+). It is also related to or classified as monoatomic dication  . It is also related to or classified as divalent metal cation , platinum cation .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C3O[C@@H]([C@@H](O)[C@@H](OC)C3=C(OC)C2)C4=CC=C(O)C=C4)CC=C(C)C)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(=C3O[C@@H]([C@@H](O)[C@@H](OC)C3=C(OC)C2)C4=CC=C(O)C=C4)CC=C(C)C)CO is 3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1C[C@@H](C([C@]2([C@]1([C@@]3(C(=CC2)[C@@]4([C@@](CC3)([C@@](CC4)([C@@H](C)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)O C1C[C@@H](C([C@]2([C@]1([C@@]3(C(=CC2)[C@@]4([C@@](CC3)([C@@](CC4)([C@@H](C)C[C@H]([C@H]5C(C)(C)O5)O)[H])C)C)[H])C)[H])(C)C)O is dihydroniloticin.  It is also related to or classified as epoxide  . It is also related to or classified as tetracyclic triterpenoid , organic heterohexacyclic compound .
The molecule O=C1NN=C([C@@H](C1)C)C2=CC=C(NC(=O)C)C=C2 O=C1NN=C([C@@H](C1)C)C2=CC=C(NC(=O)C)C=C2 is OR-1896. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule [H][C@]1([C@H](C)CCCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C [H][C@]1([C@H](C)CCCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C is A 3alpha-hydroxy steroid that is avicholic acid that contains an extra methylene (CH2) group at position 24. It is also related to or classified as 16alpha-hydroxy steroid  . It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  .
The molecule C=1C=C(OP(OCC)(CC)=O)C=CC1[N+]([O-])=O C=1C=C(OP(OCC)(CC)=O)C=CC1[N+]([O-])=O is ethyl 4-nitrophenyl ethylphosphonate. It is also related to or classified as organic phosphonate , phosphonic ester .
The molecule [O-]C(=O)C1CSSC1 [O-]C(=O)C1CSSC1 is asparagusate. It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as dithiolanes .
The molecule N1(C=2C(=C(N=CN2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@@H](C)[NH3+])=O)=O)[C@H]([C@H]3O)O N1(C=2C(=C(N=CN2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC([C@@H](C)[NH3+])=O)=O)[C@H]([C@H]3O)O is A zwitterion resulting from the transfer of a proton from the phosphate to the amino group of D-alanyl-AMP; major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule [H][As](O)([O-])=O [H][As](O)([O-])=O is the arsenic oxoanion formed by loss os a single proton from arsonic acid. It is a conjugate acid of arsonate(2-) . It is also related to or classified as arsenic oxoanion .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO is Isosakuranin. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(C(O)=O)C[C@@H](/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)O C(C(O)=O)C[C@@H](/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)O is A member of the class of resolvins that is (5E,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 4 and 17 (the 4S,17R-stereoisomer). It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite .  It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as diol  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)CC=2C=CC=CC2 C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)CC=2C=CC=CC2 is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule C(C(O)=O)CC/C=C\[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)O C(C(O)=O)CC/C=C\[C@@H](/C=C/C=C\C/C=C\C=C\[C@@H](C/C=C\CC)O)O is A member of the class of resolvins that is (5Z,8E,10Z,13Z,15Z,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17R-stereoisomer). It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite .  It is also related to or classified as secondary allylic alcohol  .  It is also related to or classified as diol  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid .
The molecule OC(=O)CCCCCCCCCCCCCCC([2H])([2H])[2H] OC(=O)CCCCCCCCCCCCCCC([2H])([2H])[2H] is Palmitic acid(d3). It is also related to or classified as long-chain fatty acid  . It is also related to or classified as deuterated fatty acid .
The molecule C(C(O)=O)C[C@@H]([C@@H](/C=C/C=C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)O)O)O C(C(O)=O)C[C@@H]([C@@H](/C=C/C=C/C=C\C\C=C/C=C/[C@@H](C/C=C\CC)O)O)O is A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17R-stereoisomer). It has the role of anti-inflammatory agent . It has the role of mouse metabolite . It has the role of human xenobiotic metabolite .  It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid , triol .
The molecule CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1 CCC(C)(C)c1ccc(CC(C)CN2C[C@H](C)O[C@H](C)C2)cc1 is A member of the class of morpholines that is cis-2,6-dimethylmorpholine in which the hydrogen attached to the nitrogen is replaced by a racemic 2-methyl-3-[p-(2-methylbutan-2-yl)phenyl]propyl group. An inhibitor of the action of squalene monooxygenase, Delta(14) reductase and D7-D8 isomerase and an antifungal agent, it is used (generally as its hydrochloride salt) for the topical treatment of fungal nail and skin infections. It has the role of EC 1.14.13.132 (squalene monooxygenase) inhibitor . It has the role of EC 1.3.1.70 (Delta(14)-sterol reductase) inhibitor . It has the role of EC 5.3.3.5 (cholestenol Delta-isomerase) inhibitor . It is also related to or classified as tertiary amino compound , morpholine antifungal drug .
The molecule O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC)C=3OC(=C(O)C(=O)C3C(O)=C2)C4=CC(OC)=C(O)C=C4)COC(=O)C)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C O([C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1OC2=C(OC)C=3OC(=C(O)C(=O)C3C(O)=C2)C4=CC(OC)=C(O)C=C4)COC(=O)C)[C@@H]5O[C@H]([C@H](O)[C@@H](O)[C@H]5O)C is Haploside C. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=C\[C@@H](C/C=C\C=C\[C@@H](C/C=C\CC)O)O)/C=C/C=C\[C@H](CCC(O)=O)O C(=C\[C@@H](C/C=C\C=C\[C@@H](C/C=C\CC)O)O)/C=C/C=C\[C@H](CCC(O)=O)O is A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17R-stereoisomer). It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite .  It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid , triol .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=CC=C(OC4OC(C(O)C(O)C4O)CO)C=C3)CO O1C(C(O)C(O)C(O)C1OC2=CC(=CC(O)=C2)/C=C\C3=CC=C(OC4OC(C(O)C(O)C4O)CO)C=C3)CO is (Z)-Resveratrol 3,4'-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as stilbenoid .
The molecule C(C(O)=O)C/C=C\C[C@H](\C=C\C=C/C=C/C=C/[C@H]([C@@H](C/C=C\CC)O)O)O C(C(O)=O)C/C=C\C[C@H](\C=C\C=C/C=C/C=C/[C@H]([C@@H](C/C=C\CC)O)O)O is A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer). It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite .  It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as resolvin , hydroxy polyunsaturated fatty acid , triol .
The molecule O1C([C@@H](O)C(O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC=3C(=O)C=4C(OC3C5=CC=C(O)C=C5)=CC(O[C@@H]6OC([C@H](O)[C@H](O)C6O)C)=CC4O)CO O1C([C@@H](O)C(O)C(OC(=O)/C=C/C2=CC(O)=C(O)C=C2)[C@@H]1OC=3C(=O)C=4C(OC3C5=CC=C(O)C=C5)=CC(O[C@@H]6OC([C@H](O)[C@H](O)C6O)C)=CC4O)CO is Kaempferol 3-(2''-caffeylglucoside)-7-rhamnoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)C)[C@]21[H] [H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@]1(C)CC[C@@H](C(C)C)[C@]21[H] is lupane. It is also related to or classified as triterpene  . It is also related to or classified as terpenoid fundamental parent .
The molecule C(O)(=O)CC/C=C\C[C@H]1[C@H](/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CC)O)O1 C(O)(=O)CC/C=C\C[C@H]1[C@H](/C=C/C=C/C=C\C=C\[C@@H](C/C=C\CC)O)O1 is A hydroxydocosahexaenoic acid that is (4Z,9E,11E,13Z,15E,19Z)-docosa-4,9,11,13,15,19-hexaenoic acid carrying an epoxy group at position 7S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid, and serves as a precursor to D-resolvins. It has the role of metabolite . It is also related to or classified as epoxy fatty acid , hydroxydocosahexaenoic acid .
The molecule [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](CN2C)NC(=O)N(CC)CC)c34 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](CN2C)NC(=O)N(CC)CC)c34 is lisuride. It has the role of serotonergic agonist . It has the role of antiparkinson drug . It has the role of dopamine agonist . It has the role of antidyskinesia agent . It is also related to or classified as monocarboxylic acid amide  .
The molecule [H]OS[O-] [H]OS[O-] is hydroxidooxidosulfate(1-). It is a conjugate acid of dioxidosulfate(2-) . It is also related to or classified as sulfur oxoanion .
The molecule C(\C/C=C\C=C\C=C\C1O[C@H]1CCC(=O)O)=C\C=C\[C@H](O)C/C=C\CC C(\C/C=C\C=C\C=C\C1O[C@H]1CCC(=O)O)=C\C=C\[C@H](O)C/C=C\CC is an epoxy fatty acid that is (6E,8E,10Z,13Z,15E,19Z)-docosa-6,8,10,13,15,19-hexaenoic acid which is carrying an epoxy group at position 4S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid that can be converted to a D-resolvin. It has the role of metabolite . It is also related to or classified as epoxy fatty acid , hydroxydocosahexaenoic acid .
The molecule NCCCCC(N)C(O)=O NCCCCC(N)C(O)=O is A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. It has the role of Daphnia magna metabolite . Its functional parent is hexanoic acid . It is a conjugate acid of lysinate . It is also related to or classified as polar amino acid  . It is also related to or classified as alpha-amino acid  . It is also related to or classified as diamino acid .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)CC=2C=CC(=CC2)O C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)CC=2C=CC(=CC2)O is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)Oc1ccc(O)cc1 O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)Oc1ccc(O)cc1 is A beta-D-glucoside compound having a phosphate group at the 6-position and a 4-hydroxyphenyl substituent at the 1-position. It has the role of Escherichia coli metabolite . Its functional parent is D-glucose 6-phosphate . Its functional parent is hydroquinone O-beta-D-glucopyranoside . Its functional parent is D-glucopyranose 6-phosphate . It is a conjugate acid of arbutin 6-phosphate(2-) . It is also related to or classified as beta-D-glucoside  .
The molecule NCCCC[C@@H](N)C([O-])=O NCCCC[C@@H](N)C([O-])=O is an optically active form of lysinate having D-configuration. It has the role of fungal metabolite . It has the role of bacterial metabolite . It is also related to or classified as lysinate  .
The molecule C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)C C1O[C@]([C@H]([C@@H]([C@@H]1O)O)O)(O)/C=N/[C@H](C([O-])=O)C is major species at pH 7.3. It is also related to or classified as organic molecular entity .
The molecule [O-]C(C[C@H](CC)O)=O [O-]C(C[C@H](CC)O)=O is A 3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (S)-3-hydroxypentanoic acid. The major species at pH 7.3. It is also related to or classified as short-chain fatty acid anion  . It is also related to or classified as 3-hydroxy fatty acid anion  .
The molecule [NH3+]CCCC[C@@H]([NH3+])C([O-])=O [NH3+]CCCC[C@@H]([NH3+])C([O-])=O is an optically active form of lysinium having D-configuration. It has the role of fungal metabolite . It has the role of bacterial metabolite . It is a conjugate acid of D-lysine . It is also related to or classified as lysinium(1+)  .
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(C[C@H](CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(C[C@H](CC)O)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is A short-chain (3S)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxypentanoyl-CoA; major species at pH 7.3. It is also related to or classified as short-chain (3S)-hydroxy fatty acyl-CoA(4-)  .
The molecule O([C@@H]1OC([C@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4 O([C@@H]1OC([C@H](O)C(O)C1O)CO)[C@@H]2[C@H](OC=3C(C2O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4 is Catechin-4-ol 3-O-beta-D-galactopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .