anonymous041/ChEBI-Augmented huggingface dataset:
The molecule Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](CO)O2)c(=O)n1 Nc1ccn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)[C@@H](CO)O2)c(=O)n1 is A 24-residue single-stranded DNA oligonucleotide consisting of an alternating sequence of deoxycytidine and deoxyguanosine residues, all connected by 3'->5' phosphodiester linkages. It forms one strand of the double-stranded DNA oligonucleotide [d(C-G).d(C-G)]12 [synonym d(CG/GC)12]. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC CCCCCCCCCCCCCCCCOC[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC is an alkylglycerol that is 1-palmityl-2-methyl-sn-glycerol carrying an additional oleoyl substituent at position 3. Its functional parent is oleic acid . It is also related to or classified as monoacylglycerol  . It is also related to or classified as alkylglycerol .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 18:1 in which the acyl group is specified as oleoyl and is located at position 2. Its functional parent is oleic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphocholine  . It is also related to or classified as oleoyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](CO)OC CCCCCCCCCCCCCCCCOC[C@H](CO)OC is an alkylglycerol having palmityl (hexadecyl) and methyl groups located at position2 1 and 2 respectively (the S-enantiomer). It is also related to or classified as 1-alkyl-2-methyl-sn-glycerol  .
The molecule CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxybehenoyl]sphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C is A phosphatidylcholine 36:1 in which the phosphatidyl acyl groups at positions 1 and 2 are specified as oleoyl and stearoyl respectively. Its functional parent is oleic acid . Its functional parent is octadecanoic acid . It is also related to or classified as phosphatidylcholine 36:1  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and palmitoyl (hexadecanoyl) respectively. Its functional parent is hexadecanoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .
The molecule O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)C(O)=O is A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with one of the hydroxy groups of  meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is trans-caffeic acid . It is also related to or classified as catechols  . It is also related to or classified as dicarboxylic acid , cinnamate ester , tetraric acid derivative .
The molecule CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 20:4 in which the acyl group is specified as arachidonoyl and is located at position 2. Its functional parent is arachidonic acid . It is also related to or classified as lysophosphatidylcholine(0:0/20:4)  .
The molecule CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O[C@H]5C[C@](C)(N)[C@@H](O)[C@H](C)O5)[C@@H]5NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c(Cl)c2 is A glycopeptide that is isolated from Amycolatopsis orientalis. It has the role of antimicrobial agent . It has the role of bacterial metabolite . Its functional parent is vancomycin aglycone . It is also related to or classified as glycopeptide  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as heterodetic cyclic peptide , polyphenol , cyclic ether , monosaccharide derivative .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCC\C=C/CCCCCCCC(=O)OCCNC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of anandamide. Its functional parent is oleic acid . Its functional parent is anandamide .  It is also related to or classified as fatty acid ester  . It is also related to or classified as fatty amide .
The molecule CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 18:0 in which the acyl group is specified as stearoyl (octadecanoyl) and is located at position 2. It has the role of human metabolite . Its functional parent is octadecanoic acid . It is also related to or classified as lysophosphatidylcholine(0:0/18:0)  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 18:2 in which the acyl group is specified as linoleoyl and is located at position 2. Its functional parent is linoleic acid . It is also related to or classified as linoleoyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine(0:0/18:2)  .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](NC(C)=O)[C@H](O)\C=C\CCCCCCCCCCCCC is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and stearoyl (octadecanoyl) respectively. Its functional parent is octadecanoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)NC(C)=O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)NC(C)=O is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .
The molecule CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+] CCCCCCCC\C=C/CCCCCCCC(=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-oleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Its functional parent is oleic acid . It is also related to or classified as oleoyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:1  .
The molecule O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O is an O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 6. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .
The molecule CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 22:6 in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and is located at position 2. Its functional parent is all-cis-docosa-4,7,10,13,16,19-hexaenoic acid . It is also related to or classified as 2-docosahexaenoyl-sn-glycero-3-phosphocholine  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)NC(C)=O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)NC(C)=O is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and arachidonoyl respectively. Its functional parent is arachidonic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .
The molecule CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[NH3+] CCCCC\C=C/C\C=C/CCCCCCCC(=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-linoleoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. Its functional parent is linoleic acid . It is also related to or classified as 2-acyl-sn-glycero-3-phosphoethanolamine zwitterion  . It is also related to or classified as lysophosphatidylethanolamine zwitterion 18:2  .
The molecule CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine 16:0 in which the acyl group is specified as palmitoyl (hexadecanoyl) and is located at position 2. Its functional parent is hexadecanoic acid . It is also related to or classified as lysophosphatidylcholine(0:0/16:0)  . It is also related to or classified as lysophosphatidylcholine 16:0  .
The molecule O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O)C(O)=O is A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is cis-caffeic acid . It is also related to or classified as catechols  . It is also related to or classified as dicarboxylic acid , cinnamate ester , tetraric acid derivative .
The molecule OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C\c2ccc(O)cc2)[C@@H]1O is an O-acyl carbohydrate that is beta-D-glucose bearing a trans-4-coumaroyl substituent at position 4. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .
The molecule Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP(O)(O)=O Nc1[n+]2cnc3n(cnc13)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]3O[C@@H]2[C@H](O)[C@@H]3O)[C@@H](O)[C@H]1OP(O)(O)=O is A cyclic purine nucleotide that is cyclic ADP-ribose substituted at position O-2' by a phospho group. It has the role of metabolite . It has the role of calcium channel agonist . It has the role of signalling molecule . Its functional parent is cyclic ADP-beta-D-ribose . It is a conjugate acid of 2'-phospho-cyclic ADP-ribose(3-) . It is also related to or classified as nucleotide-sugar  . It is also related to or classified as cyclic purine nucleotide .
The molecule O[C@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O O[C@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O is an O-acyl carbohydrate that is alpha-D-glucose bearing a trans-4-coumaroyl substituent at position 6. It has the role of metabolite . Its functional parent is alpha-D-glucose . Its functional parent is trans-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .
The molecule CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCCCCC is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as docosanoyl. It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-docosanoylsphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H](Oc2ccccc2)[C@@H]1O O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H](Oc2ccccc2)[C@@H]1O is A ribose derivative that is the 5-phospho derivative of phenyl alpha-D-ribofuranoside. Its functional parent is alpha-D-ribose .  It is also related to or classified as pentoside  . It is also related to or classified as ribose monophosphate , ribose derivative .
The molecule [H]C(=O)\C=C\CC\C=C/CC [H]C(=O)\C=C\CC\C=C/CC is an enal that is (2E,6Z)-nona-2,6-diene substituted by an oxo group at position 1. It has the role of plant metabolite . It is also related to or classified as trans-2,3-unsaturated fatty aldehyde  . It is also related to or classified as enal  .
The molecule CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)NC(C)=O CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)NC(C)=O is A 1-O-acyl-N-acylsphingosine in which the N- and O-acyl groups are specified as acetyl and linoleoyl respectively. Its functional parent is linoleic acid . Its functional parent is N-acetylsphingosine . It is also related to or classified as 1-O-acyl-N-acetylsphingosine  .
The molecule OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C/c2ccc(O)cc2)[C@@H]1O OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC(=O)\C=C/c2ccc(O)cc2)[C@@H]1O is an O-acyl carbohydrate that is beta-D-glucose bearing a cis-4-coumaroyl substituent at position 3. It has the role of metabolite . Its functional parent is beta-D-glucose . Its functional parent is cis-4-coumaric acid . It is also related to or classified as phenols  . It is also related to or classified as cinnamate ester , O-acyl carbohydrate .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccncc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A glycophytoceramide having a 6-O-(4-pyridylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide .
The molecule COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O is A benzyltetrahydroisoquinoline that is norlaudanosoline carrying four methyl substituents at positions N-1, O-6, O-7 and O-4'. Its functional parent is norlaudanosoline .   It is also related to or classified as phenols  . It is also related to or classified as benzylisoquinoline alkaloid , benzyltetrahydroisoquinoline , aromatic ether .
The molecule O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O O[C@H]([C@H](OC(=O)\C=C/c1ccc(O)cc1)C(O)=O)C(O)=O is A cinnamate ester obtained by formal condensation of the carboxy group of cis-coumaric acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is cis-4-coumaric acid . It is also related to or classified as p-coutaric acid  .
The molecule COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O is the (S)-enantiomer of laudanine. Its functional parent is (S)-norlaudanosoline . It is also related to or classified as laudanine  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2ccc(Cl)cc2)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A glycophytoceramide having a 6-O-[(4-chlorophenyl)carbamoyl]-alpha-D-galactopyranosyl residue at the O-1 position and an hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide .
The molecule O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O)C(O)=O O[C@H]([C@H](OC(=O)\C=C\c1ccc(O)cc1)C(O)=O)C(O)=O is A cinnamate ester obtained by formal condensation of the carboxy group of trans-coumaric acid with one of the hydroxy groups of meso-tartaric acid. It has the role of metabolite . Its functional parent is meso-tartaric acid . Its functional parent is trans-4-coumaric acid . It is also related to or classified as p-coutaric acid  .
The molecule [C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)CO)NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O [C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)(CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O)CO)NC([C@H](O)CCCCCCCCCCCCCCCCCCCCCC)=O is A galactosylceramide sulfate in which the sulfo group is located at position 3 and the ceramide N-acyl group is specified as (R)-2-hydroxylignoceroyl. Its functional parent is (R)-2-hydroxylignoceric acid . It is a conjugate acid of 1-(3-O-sulfo-beta-D-galactosyl)-N-[(2R)-2-hydroxylignoceroyl]sphingosine(1-) . It is also related to or classified as galactosylceramide sulfate  . It is also related to or classified as N-acyl-beta-D-galactosylsphingosine  .
The molecule COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O COc1ccc(C[C@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O is the (R)-enantiomer of laudanine. Its functional parent is (R)-norlaudanosoline . It is also related to or classified as laudanine  .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](COC(=O)Nc2cccc3ccccc23)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC is A glycophytoceramide having a 6-O-(1-naphthylcarbamoyl)-alpha-D-galactopyranosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. It is also related to or classified as glycophytoceramide .
The molecule Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O Cc1cn([C@H]2C[C@H](OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3OP(O)(=O)OC[C@H]3O[C@H](C[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O is A single-stranded DNA oligonucleotide comprised of four deoxyadenosine and three thymidine residues connected by 3'->5' phosphodiester linkages in the sequence AATTTAA. It is also related to or classified as single-stranded DNA oligonucleotide .
The molecule CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1 CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1 is A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals. It has the role of non-steroidal anti-inflammatory drug . It has the role of non-narcotic analgesic . It has the role of antipyretic . It has the role of antipsoriatic . It has the role of hepatotoxic agent . It has the role of nephrotoxic agent . It has the role of protein kinase C agonist . It has the role of EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor . Its functional parent is propionic acid . It is also related to or classified as monocarboxylic acid , 1,3-benzoxazoles , monochlorobenzenes .
The molecule Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is an AMP-sugar in which the 2'-hydroxy group of AMP carries a 5-phospho-beta-D-ribosyl substituent. Monomer unit of poly(ADP-Rib) [poly(adenosine diphosphate ribose)]. It is also related to or classified as AMP-sugar  .
The molecule COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O is A racemate composed of equimolar amounts of (R)- and (S)-laudanosoline. It is also related to or classified as racemate .
The molecule COc1cc(\C=C/C(O)=O)ccc1O COc1cc(\C=C/C(O)=O)ccc1O is A ferulic acid consisting of cis-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has the role of platelet aggregation inhibitor . It has the role of plant metabolite . Its functional parent is cis-cinnamic acid . It is also related to or classified as ferulic acid  .