anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)CC[C@H](CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O CC(=O)CC[C@H](CO)c1c(O)cc2C(=O)c3cc(O)cc(O)c3C(=O)c2c1O is an optically active form of tricyclic versicolorone having S-configuration. It is a conjugate acid of (2S)-versicolorone(1-) . It is also related to or classified as versicolorone tricyclic form  .
The molecule CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC CC[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC is A tetrapeptide comprising N-(tert-butoxycarbonyl)-6-diazo-5-oxo-L-norleucyl, L-glutaminyl, L-isoleucyl and methyl L-valinate residues coupled in sequence. It has the role of EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor .  It is also related to or classified as methyl ester  .  It is also related to or classified as tetrapeptide  . It is also related to or classified as carbamate ester , diazo compound .
The molecule CC(=O)CSc1n(C)cc[n+]1C CC(=O)CSc1n(C)cc[n+]1C is an imidazolium ion obtained by methylation at position 3 of 1-methyl-2-[(2-oxopropyl)thio]imidazole. It is also related to or classified as imidazolium ion .
The molecule [O-]C(=O)CCCC\C(=C\C([O-])=O)C([O-])=O [O-]C(=O)CCCC\C(=C\C([O-])=O)C([O-])=O is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-trihomoaconitic acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule [Cl-].CC(=O)CSc1n(C)cc[n+]1C [Cl-].CC(=O)CSc1n(C)cc[n+]1C is an organic chloride salt in which the cationic component is 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium. It has the role of EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor . It is also related to or classified as organic chloride salt .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP(O)(O)=O)NC(=O)CCCCCCCCCCC is A ceramide 1-phosphate that is the N-dodecanoyl (lauroyl) derivative of sphingosine. It has the role of metabolite . Its functional parent is sphingosine . Its functional parent is dodecanoic acid . It is a conjugate acid of N-dodecanoylsphingosine 1-phosphate(2-) . It is also related to or classified as N-acylsphingosine 1-phosphate  .
The molecule [O-]C(=O)CCC\C(=C\C([O-])=O)C([O-])=O [O-]C(=O)CCC\C(=C\C([O-])=O)C([O-])=O is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-dihomoaconitic acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule [O-]C(=O)CCCCC(=O)C([O-])=O [O-]C(=O)CCCCC(=O)C([O-])=O is an oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxopimelic acid; major structure at pH 7.3. Its functional parent is pimelate(2-) . It is also related to or classified as oxo dicarboxylate .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CC\C=C(/C)C(O)=O [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@@H](O)C2)[C@H](C)CC\C=C(/C)C(O)=O is A C27 bile acid that is 5beta-cholest-24-en-26-oic acid substituted by hydroxy groups at positions 3alpha and 7beta. It has the role of metabolite .  It is also related to or classified as 7beta-hydroxy steroid  .  It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as bile acid , dihydroxy monocarboxylic acid , cholestanoid , alpha,beta-unsaturated monocarboxylic acid .
The molecule [H][C@@]12C[C@@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O)OS(O)(=O)=O [H][C@@]12C[C@@H](CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCC(=O)NCC(O)=O)OS(O)(=O)=O is A steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid. It has the role of metabolite . Its functional parent is glycochenodeoxycholic acid .   It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as steroid sulfate , bile acid glycine conjugate .
The molecule CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C CCCCC\C=C\C\C=C\CCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C is an O-octadecadienoylcarnitine having linoelaidyl as the acyl substituent. It is also related to or classified as O-octadecadienoylcarnitine  .
The molecule [H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O [H][C@@](O)(COCCCCCCCCCCCCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O is A glycero-3-phosphoserine that is sn-glycero-3-phospho-L-serine substituted at position 1 by an octadecyl group. It has the role of metabolite . It is also related to or classified as glycerophosphoserine .
The molecule O[C@H]([C@H](CCCC([O-])=O)C([O-])=O)C([O-])=O O[C@H]([C@H](CCCC([O-])=O)C([O-])=O)C([O-])=O is A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (-)-threo-isodihomocitric acid; major species at pH 7.3. It is also related to or classified as tricarboxylic acid trianion .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCC CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])([O-])=O)NC(=O)CCCCCCCCCCC is A N-acylsphingosine 1-phosphate(2-) in which the ceramide N-acyl group is specified as dodecanoyl (lauroyl). It is also related to or classified as N-acylsphingosine 1-phosphate(2-)  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP(O)(=O)OCCN CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP(O)(=O)OCCN is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as (5Z,8Z,11Z,14Z)-eicosatetraenoyl (arachidonoyl). It has the role of metabolite . Its functional parent is arachidonic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 20:4  .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+] CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+] is A 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of 2-arachidonoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Its functional parent is arachidonic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3NC(=O)C(C=C)=C\3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C is A linear tetrapyrrole, product of heme degradation. An isomer of bilirubin. It has the role of metabolite . It is also related to or classified as dicarboxylic acid , biladienes .
The molecule [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP([O-])(=O)OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl group are specified as (Z)-hexadec-1-enyl and hexadecanoyl (palmitoyl) respectively. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  .
The molecule [H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN [H][C@@](O)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as 8Z,11Z,14Z,17Z-eicosapentaenoyl (omega-3-arachidonoyl). It has the role of metabolite . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 20:4  .
The molecule [NH3+][C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O [NH3+][C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@H]1O is A primary ammonium ion resulting from the protonation of the amino group of 3-amino-3-deoxy-D-glucopyranose. It is a conjugate acid of 3-amino-3-deoxy-D-glucopyranose . It is also related to or classified as primary ammonium ion  . It is also related to or classified as organic cation .
The molecule [H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN [H][C@@](O)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COP(O)(=O)OCCN is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl. It has the role of metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 22:6  .
The molecule [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC [H][C@@](CO\C=C/CCCCCCCCCCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCCCC is A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alk-1-enyl and acyl group are specified as (Z)-hexadec-1-enyl and hexadecanoyl (palmitoyl) respectively. It is also related to or classified as 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine  .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@H](O)[C@]4([H])C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCC(O)=O is A dihydroxy-5beta-cholanic acid with hydroxy groups located at positions 3beta and 6beta. It has the role of metabolite .   It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as dihydroxy-5beta-cholanic acid , bile acid , 6beta-hydroxy steroid .
The molecule [H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC [H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as 8Z,11Z,14Z,17Z-eicosapentaenoyl (omega-3-arachidonoyl). It has the role of metabolite . Its functional parent is all-cis-8,11,14,17-icosatetraenoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 20:4  .
The molecule [H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC [H][C@@](COCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC is A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the acyl and alkyl groups are specified as hexadecanoyl (palmitoyl) and hexadecyl respectively. It is also related to or classified as 2-acyl-1-alkyl-sn-glycero-3-phosphocholine  .
The molecule [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]1O is an organic cation obtained by protonation of the primary amino groups of kanamycin X. It is a conjugate acid of kanamycin X . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O[C@H]([C@H](CCCC(O)=O)C(O)=O)C(O)=O O[C@H]([C@H](CCCC(O)=O)C(O)=O)C(O)=O is A tricarboxylic acid that is pimelic acid carrying an additional carboxy substituent at position 3 as well as a hydroxy substituent at position 2 (the 2R,3S-diastereomer). It is a conjugate acid of (-)-threo-isodihomocitrate(3-) .  It is also related to or classified as secondary alcohol  . It is also related to or classified as tricarboxylic acid .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)C(=O)[C@@H](O)[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)C(=O)[C@@H](O)[C@@H]1O is A kanamycin obtained by dehydrogenation at position 2' of kanamycin A. Its functional parent is kanamycin A . It is also related to or classified as kanamycins .
The molecule [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)C(=O)[C@@H](O)[C@@H]1O [NH3+]C[C@H]1O[C@H](O[C@@H]2[C@@H]([NH3+])C[C@@H]([NH3+])[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]2O)C(=O)[C@@H](O)[C@@H]1O is A quadruply-charged organic cation arising from protonation of the four amino groups of 2'-oxokanamycin A; major species at pH 7.3. It is a conjugate acid of 2'-oxokanamycin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C(SSCc1ccccc1)c1ccccc1 C(SSCc1ccccc1)c1ccccc1 is an organic disulfide that results from the formal oxidative dimerisation of benzyl thiol. It has the role of metabolite .  It is also related to or classified as organic disulfide  . It is also related to or classified as organic aromatic compound .
The molecule Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F Oc1ccc(cc1)C(c1ccc(O)cc1)(C(F)(F)F)C(F)(F)F is an organofluorine compound that is  bisphenol A with its methyl hydrogens replaced by fluorines. It has the role of metabolite . Its functional parent is bisphenol A .  It is also related to or classified as organofluorine compound  . It is also related to or classified as bisphenol .
The molecule CC(=O)O[C@@H]1C(=O)c2c(O)c3c(O)cc(O)cc3c(CC=C(C)C)c2C[C@@]1(O)CC(=O)\C=C(\C)O CC(=O)O[C@@H]1C(=O)c2c(O)c3c(O)cc(O)cc3c(CC=C(C)C)c2C[C@@]1(O)CC(=O)\C=C(\C)O is A carbotricyclic compound obtained from the pathogenic fungi Aspergillus fumigatus and Neosartorya fischeri following activation of their polycyclic polyketide prenyltransferase (pcPTase)-containing silent clusters. It exhibits T-cell antiproliferative activity with an IC50 of 3 muM, suggesting a possible physiological role as an immunosuppressive agent. It has the role of immunosuppressive agent . It has the role of fungal metabolite . It is also related to or classified as polyketide  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as phenols  .   It is also related to or classified as acetate ester  . It is also related to or classified as cyclic ketone , anthracenes , carbotricyclic compound .
The molecule [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O is an organic heteropentacyclic compound that is a mycotoxic indole alkaloid produced by several fungi. A potent and specific inhibitor of the breast cancer resistance protein multidrug transporter. It has the role of mycotoxin . It has the role of breast cancer resistance protein inhibitor . It is also related to or classified as aromatic ether , organic heteropentacyclic compound , indole alkaloid .
The molecule CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCC is A N-acylsphinganine-1-phosphocholine in which the acyl group is pentadecanoyl. Its functional parent is pentadecanoic acid . It is also related to or classified as N-acylsphinganine-1-phosphocholine  .
The molecule CCCCCCCCC\C=C\CC\C=C\[C@@H](O)[C@@H](N)CO CCCCCCCCC\C=C\CC\C=C\[C@@H](O)[C@@H](N)CO is A sphingoid that is sphingosine having an additional trans-double bond at position 8. It has the role of mouse metabolite . Its functional parent is sphingosine . It is also related to or classified as sphingoid  .
The molecule [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3cc(O)ccc13)NC2=O [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3cc(O)ccc13)NC2=O is A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and hydroxy groups respectively. Its functional parent is brevianamide F .   It is also related to or classified as dipeptide  . It is also related to or classified as indoles , indole alkaloid , pyrrolopyrazine .
The molecule [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](OCC=C(C)C)c3c4n([C@H](OOC(C)(C)C[C@]4([H])N1C2=O)C=C(C)C)c1cc(OC)ccc31 [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](OCC=C(C)C)c3c4n([C@H](OOC(C)(C)C[C@]4([H])N1C2=O)C=C(C)C)c1cc(OC)ccc31 is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid obtained by prenylation of the 10-hydroxy group of verruculogen. It has the role of mycotoxin . Its functional parent is verruculogen . It is also related to or classified as diol  . It is also related to or classified as organic peroxide , aromatic ether , indole alkaloid , organic heterohexacyclic compound .
The molecule [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O is an indole alkaloid  that is fumitremorgin C substituted at positions 12 and 13 by hydroxy groups. Its functional parent is fumitremorgin C . It is also related to or classified as diol  . It is also related to or classified as aromatic ether , organic heteropentacyclic compound , indole alkaloid .
The molecule [H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC [H][C@@](CO)(COP(O)(=O)OCCN)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC is A 2-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as 4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl. It has the role of metabolite . Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine  . It is also related to or classified as lysophosphatidylethanolamine 22:6  .
The molecule [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3cc(OC)ccc13)NC2=O [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3cc(OC)ccc13)NC2=O is A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively. It has the role of breast cancer resistance protein inhibitor . Its functional parent is brevianamide F .    It is also related to or classified as dipeptide  . It is also related to or classified as indoles , aromatic ether , indole alkaloid , pyrrolopyrazine .
The molecule N[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O N[C@@H](Cc1cc(O)c(O)cc1O)C(O)=O is an L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6. Its functional parent is L-dopa . It is also related to or classified as non-proteinogenic L-alpha-amino acid , L-phenylalanine derivative .
The molecule COC(=O)c1ccccc1 COC(=O)c1ccccc1 is A benzoate ester obtained by condensation of benzoic acid and methanol. It has the role of insect attractant . It has the role of metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as benzoate ester .
The molecule [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4ccccc34)[C@H](C=C(C)C)N1C2=O [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4ccccc34)[C@H](C=C(C)C)N1C2=O is an organic heteropentacyclic compound that is a mycotoxic indole alkaloid, consisting of fumitremorgin C lacking the 9-methoxy substituent. It has the role of mycotoxin . It is also related to or classified as organic heteropentacyclic compound , indole alkaloid .
The molecule Nc1ccc(cc1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O Nc1ccc(cc1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule CC(C)(C)C(N)C(O)=O CC(C)(C)C(N)C(O)=O is A glycine derivative that is glycine with a tertiary butyl group at position 2. It has the role of metabolite . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c4n([C@H](OOC(C)(C)C[C@]4([H])N1C2=O)C=C(C)C)c1cc(OC)ccc31 [H][C@@]12CCCN1C(=O)[C@]1(O)[C@@H](O)c3c4n([C@H](OOC(C)(C)C[C@]4([H])N1C2=O)C=C(C)C)c1cc(OC)ccc31 is an organic heterohexacyclic compound that is a mycotoxic indole alkaloid isolated from Penicillium and Aspergillus species. It has the role of mycotoxin . It has the role of GABA modulator . It has the role of potassium channel blocker . It has the role of Aspergillus metabolite . It has the role of Penicillium metabolite . It is also related to or classified as diol  . It is also related to or classified as organic peroxide , aromatic ether , indole alkaloid , organic heterohexacyclic compound .
The molecule [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3ccccc13)NC2=O [H][C@@]12CCCN1C(=O)[C@H](Cc1c(CC=C(C)C)[nH]c3ccccc13)NC2=O is A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at position 2 on the indole ring by a prenyl group. Its functional parent is brevianamide F .   It is also related to or classified as dipeptide  . It is also related to or classified as indoles , indole alkaloid , pyrrolopyrazine .
The molecule Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@@H](CO)OP([O-])([O-])=O Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@@H](CO)OP([O-])([O-])=O is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 7,8-dihydroneopterin 2'-phosphate. It is also related to or classified as organophosphate oxoanion .
The molecule Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@@H](CO)OP(O)(O)=O Nc1nc2NCC(=Nc2c(=O)[nH]1)[C@H](O)[C@@H](CO)OP(O)(O)=O is A pterin phosphate that is 7,8-dihydroneopterin carrying a single monophosphate substituent at position 2'. Its functional parent is 7,8-dihydroneopterin . It is a conjugate acid of 7,8-dihydroneopterin 2'-phosphate(2-) . It is also related to or classified as neopterins , pterin phosphate , dihydropterin .
The molecule CC(C)[C@H]1CC\C(C)=C\CC\C(C)=C\[C@@H]1O CC(C)[C@H]1CC\C(C)=C\CC\C(C)=C\[C@@H]1O is A germacrane sesquiterpenoid derived from germacrane by dehydrogenation between the 1-10 and 4-5 positions as well as hydroxylation at position 6. It is also related to or classified as secondary alcohol  . It is also related to or classified as germacrane sesquiterpenoid .
The molecule OCCC(=C)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O OCCC(=C)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O is A 6-O-acyl-D-glucose that is the 6-O-(4-hydroxy-2-methylenebutanoyl) derivative of D-glucopyranose. It has the role of metabolite . It has the role of allergen . Its functional parent is D-glucopyranose . It is also related to or classified as homoallylic alcohol  . It is also related to or classified as 6-O-acyl-D-glucose .
The molecule CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O CCCCC\C=C/C\C=C/CC(O)\C=C/C=C/CCCC(O)=O is an HETE having a 9-hydroxy group and (5E)-, (7Z)-, (11Z)- and (14Z)-double bonds. It has the role of metabolite . It is also related to or classified as HETE .
The molecule Nc1ccc(cc1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Nc1ccc(cc1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A ribose monophosphate that is 4-(beta-D-ribofuranosyl)aminobenzene carrying a single monophospate substituent at position 5'. It is a conjugate acid of 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate(2-) . It is also related to or classified as C-glycosyl compound , ribose monophosphate , substituted aniline .
The molecule CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O CCCCC\C=C/C\C=C\C=C\C=C\[C@@H](SC[C@H](N)C(O)=O)[C@@H](O)CCCC(O)=O is A leukotriene that is the 11-trans-isomer of leukotriene E4. It has the role of metabolite . Its functional parent is icosa-7,9,11,14-tetraenoic acid . It is also related to or classified as leukotriene  .
The molecule COC(=O)Cc1c[nH]c2ccccc12 COC(=O)Cc1c[nH]c2ccccc12 is the methyl ester of indole-3-acetic acid. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is indole-3-acetic acid .  It is also related to or classified as methyl ester  . It is also related to or classified as indoles .
The molecule CC\C=C/C\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCC(O)=O CC\C=C/C\C=C/C\C=C/CC(O)\C=C\C=C/C\C=C/CCC(O)=O is A hydroxydocosahexaenoic acid that consists of 4Z,7Z,9E,13Z,16Z,19Z-docosahexaenoic acid with the hydroxy group located at position 11. It has the role of metabolite . It is also related to or classified as hydroxydocosahexaenoic acid .