mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of procyanidin B4. It has the role of metabolite. Its functional parent is procyanidin B4. Its functional parent is gallic acid. It is also related to or classified as proanthocyanidin, gallate ester, biflavonoid, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3S)-hydroxy group of procyanidin B3. It has the role of metabolite. Its functional parent is gallic acid. Its functional parent is procyanidin B3. It is also related to or classified as proanthocyanidin, gallate ester, biflavonoid, polyphenol.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A proanthocyanidin consisting of two molecules of (-)-epicatechin joined by a (4alpha->8)-linkage. It has the role of metabolite. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O</smiles> is A uridine phosphate in which the uridine bears an additional carboxymethyl substituent at position 5 and the phosphono group is at the 5'-oxygen. It is also related to or classified as uridine phosphate.
The molecule <smiles>OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(CC(O)=O)c(=O)[nH]c1=O</smiles> is uridine bearing an additional carboxymethyl substituent at position 5. It is also related to or classified as uridines.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A proanthocyanidin consisting of (+)-gallocatechin and (-)-epicatechin units joined by a (4alpha->8)-linkage. It has the role of metabolite. Its functional parent is (+)-gallocatechin. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4alpha->8)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (+)-gallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4beta->8)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (+)-gallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1</smiles> is A proanthocyanidin consisting of (-)-epicatechin and (-)-epigallocatechin units joined by a (4beta->8)-linkage. It has the role of metabolite. Its functional parent is (-)-epigallocatechin. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A proanthocyanidin consisting of (-)-epigallocatechin and (-)-epicatechin units joined by a (4beta->8)-linkage. It has the role of metabolite. Its functional parent is (-)-epigallocatechin. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O</smiles> is A proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4alpha->6)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (+)-gallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1</smiles> is A proanthocyanidin consisting of (-)-epicatechin and (+)-gallocatechin units joined by a (4beta->8)-linkage. It has the role of metabolite. Its functional parent is (+)-gallocatechin. Its functional parent is (-)-epicatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O[C@@H]1c1ccc(O)c(O)c1)cc(O)c([C@@H]1[C@@H](O)[C@H](Oc3cc(O)cc(O)c13)c1cc(O)c(O)c(O)c1)c2O</smiles> is A proanthocyanidin consisting of (-)-epigallocatechin and (+)-catechin units joined by a (4alpha->6)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (-)-epigallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@H]1Cc2c(O[C@@H]1c1cc(O)c(O)c(O)c1)cc(O)c([C@H]1[C@H](O)[C@H](Oc3cc(O)cc(O)c13)c1ccc(O)c(O)c1)c2O</smiles> is A proanthocyanidin consisting of (+)-catechin and (+)-gallocatechin units joined by a (4alpha->6)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (+)-gallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>[H][C@]12C[C@@]3([H])[C@H](C)C=C(OC)C(=O)[C@]3(C)[C@@]3([H])[C@H](O)[C@@H](OC)[C@@](C)(O)[C@]([H])(CC(O)O1)[C@]23C</smiles> is A  quassinoid  that is picras-2-ene substituted by hydroxy groups at positions 11, 13 and 16, methoxy groups at positions 2 and 12 and an oxo group at position 1 (the 11alpha,12beta stereoisomer). It has the role of antifeedant. It is also related to or classified as lactol . It is also related to or classified as organic heterotetracyclic compound, quassinoid.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1</smiles> is A proanthocyanidin consisting of (+)-catechin and (-)-epigallocatechin units joined by a (4alpha->8)-linkage. It has the role of metabolite. Its functional parent is (+)-catechin. Its functional parent is (-)-epigallocatechin. It is also related to or classified as proanthocyanidin, biflavonoid, hydroxyflavan, polyphenol.
The molecule <smiles>O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is delphinidin. Its functional parent is trans-4-coumaric acid. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, cinnamate ester.
The molecule <smiles>N[C@@H]([C@H]1CCNC(=N)N1)C(O)=O</smiles> is an L-alpha-amino acid obtained by enzyme-mediated intramolecular cyclisation of L-arginine. It has the role of metabolite. It is also related to or classified as guanidines, pyrimidines, non-proteinogenic L-alpha-amino acid, L-arginine derivative.
The molecule <smiles>[NH3+][C@@H]([C@H]1CCNC(=[NH2+])N1)C([O-])=O</smiles> is an alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of (2S,3R)-capreomycidine. It is a conjugate acid of (2S,3R)-capreomycidine. It is also related to or classified as alpha-amino-acid cation.
The molecule <smiles>O[C@@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3R)-hydroxy group of procyanidin B2. It has the role of metabolite. Its functional parent is gallic acid. Its functional parent is procyanidin B2. It is also related to or classified as proanthocyanidin, gallate ester, biflavonoid, polyphenol.
The molecule <smiles>CC(=O)OC[C@H]1O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O</smiles> is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-acetyl-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is delphinidin. It is also related to or classified as beta-D-glucoside . It is also related to or classified as anthocyanin cation .
The molecule <smiles>O[C@@H]1[C@H](Oc2cc(O)cc(O)c2[C@H]1c1c(O)cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1</smiles> is A gallate ester obtained by formal condensation of the carboxy group of gallic acid with the (3'S)-hydroxy group of procyanidin B3. It has the role of metabolite. Its functional parent is gallic acid. Its functional parent is procyanidin B3. It is also related to or classified as proanthocyanidin, gallate ester, biflavonoid, polyphenol.
The molecule <smiles>O[C@@H]1[C@@H](COC(=O)\C=C/c2ccc(O)cc2)O[C@@H](Oc2cc3c(O)cc(O)cc3[o+]c2-c2cc(O)c(O)c(O)c2)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-4-coumaric acid. Its functional parent is delphinidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, cinnamate ester.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A triglyceride in which the 1- and 3-acyl groups are palmitoyl while that at position 2 is oleoyl. Its functional parent is hexadecanoic acid. Its functional parent is oleic acid. It is also related to or classified as triacylglycerol 50:1 .
The molecule <smiles>COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-4-coumaric acid. Its functional parent is malvidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[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]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]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]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]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]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]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of 21 thymidine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>CC(C)O[P@@](C)(F)=O</smiles> is the (S)-enantiomer of sarin; the more potent enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It has the role of neurotoxin. It is also related to or classified as isopropyl methylphosphonofluoridate .
The molecule <smiles>COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is malvidin substituted at position 3 by a 6-O-acetyl-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is malvidin. It is also related to or classified as beta-D-glucoside . It is also related to or classified as anthocyanin cation . It is also related to or classified as aromatic ether.
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[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]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of six thymidine residues connected via 3'->5' phosphodiester linkages. It has the role of epitope. It is also related to or classified as oligonucleotide .
The molecule <smiles>COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is peonidin substituted at position 3 by a 6-O-acetyl-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is peonidin. It is also related to or classified as beta-D-glucoside . It is also related to or classified as anthocyanin cation . It is also related to or classified as aromatic ether.
The molecule <smiles>CC(Oc1ccc(Cl)cc1C)C(O)=O</smiles> is A monocarboxylic acid that is lactic acid in which the hydroxyl hydrogen is replaced by a 4-chloro-2-methylphenyl group. Its functional parent is rac-lactic acid. It is also related to or classified as monocarboxylic acid, aromatic ether, monochlorobenzenes.
The molecule <smiles>Nc1ccn([C@H]2C[C@H](O)[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]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]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]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]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]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]3COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)O2)c(=O)n1</smiles> is an oligonucleotide comprised of 21 2'-deoxycytidine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is peonidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-4-coumaric acid. Its functional parent is peonidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.
The molecule <smiles>COc1cc(cc(OC)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is trans-4-coumaric acid. Its functional parent is malvidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.
The molecule <smiles>OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O)n1ccc(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of five 2-deoxyuridine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>CC(C)O[P@](C)(F)=O</smiles> is the (S)-enantiomer of sarin; the less active enantiomer of racemic sarin, a nerve agent that is employed as a chemical warfare agent. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It has the role of neurotoxin. It is also related to or classified as isopropyl methylphosphonofluoridate .
The molecule <smiles>Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3CO)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of two thymidine residues connected via a 3'->5' phosphodiester linkage. It is also related to or classified as oligonucleotide .
The molecule <smiles>COc1cc(ccc1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is peonidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is trans-4-coumaric acid. Its functional parent is peonidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.
The molecule <smiles>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]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3OP(O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)[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]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]5[C@@H](COP(O)(=O)O[C@@H]6[C@@H](COP(O)(=O)O[C@@H]7[C@@H](COP(O)(=O)O[C@@H]8[C@@H](COP(O)(=O)O[C@@H]9[C@@H](COP(O)(=O)O[C@@H]%10[C@@H](CO)O[C@H]([C@@H]%10O)n%10cnc%11c(N)ncnc%10%11)O[C@H]([C@@H]9O)n9cnc%10c(N)ncnc9%10)O[C@H]([C@@H]8O)n8cnc9c(N)ncnc89)O[C@H]([C@@H]7O)n7cnc8c(N)ncnc78)O[C@H]([C@@H]6O)n6cnc7c(N)ncnc67)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4cnc5c(N)ncnc45)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)n3cc(C)c(=O)[nH]c3=O)n3cc(C)c(=O)[nH]c3=O)O2)c(=O)[nH]c1=O</smiles> is an oligonucleotide comprised of a sequence of eight adenosine, five thymidine and a further eight adenosine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>N[C@H]([C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O</smiles> is A carbohydrate phosphate that is the 6-O-phospho derivative of 2-amino-2-deoxy-D-gluconic acid. Its functional parent is 2-amino-2-deoxy-D-gluconic acid. It is a conjugate acid of D-glucosaminic acid 6-phosphate(2-). It is also related to or classified as carbohydrate phosphate, gluconic acid derivative.
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2COP(O)(=O)O[C@H]2C[C@@H](O[C@@H]2CO)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)n2cnc3c2nc(N)[nH]c3=O)O1</smiles> is an oligonucleotide comprised of fifteen 2'-deoxyguanosine residues connected via 3'->5' phosphodiester linkages. It is also related to or classified as oligonucleotide .
The molecule <smiles>O[C@@H]1C=CC(=C[C@H]1O)C([O-])=O</smiles> is A hydroxy monocarboxylic acid anion that is the conjugate base of (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as hydroxy monocarboxylic acid anion.
The molecule <smiles>O[C@@H]1C=CC(=C[C@H]1O)C(O)=O</smiles> is A cyclohexadienecarboxylic acid that is cyclohexa-1,5-diene-1-carboxylic acid carrying two hydroxy substituents at positions 3 and 4 (the 3R,4R-stereoisomer). It is a conjugate acid of (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylate.  It is also related to or classified as cyclohexadienediol . It is also related to or classified as cyclohexadienecarboxylic acid, alpha,beta-unsaturated monocarboxylic acid.
The molecule <smiles>COC(\C=C\C([O-])=O)=C/C(C)=C/C1CCCc2oc3ccc(O)cc3c12</smiles> is A monocarboxylic acid anion that is the conjugate base of cuevaene A, obtained by deprotonation of the carboxy group. It is also related to or classified as monocarboxylic acid anion .
The molecule <smiles>COc1cccc(c1)C1(O)CCCCC1CN(C)C</smiles> is A tertiary alcohol that is cyclohexanol substituted at positions 1 and 2 by 3-methoxyphenyl and dimethylaminomethyl groups respectively. Its functional parent is cyclohexanol. It is also related to or classified as tertiary alcohol . It is also related to or classified as aromatic ether, tertiary amino compound.
The molecule <smiles>COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C/c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is cis-4-coumaric acid. Its functional parent is petunidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.
The molecule <smiles>COc1cc(cc(O)c1O)-c1[o+]c2cc(O)cc(O)c2cc1O[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O</smiles> is an anthocyanin cation that is petunidin substituted at position 3 by a 6-O-(trans-4 coumaryl)-beta-D-glucosyl residue. It has the role of metabolite. Its functional parent is trans-4-coumaric acid. Its functional parent is petunidin. It is also related to or classified as beta-D-glucoside .  It is also related to or classified as anthocyanin cation . It is also related to or classified as polyphenol, aromatic ether, cinnamate ester.