mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1-heptadecanoyl-2-arachidonoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 3-sn-phosphatidyl-L-serine(1-) .
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]4[C@@H](CO)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3cnc4c(N)ncnc34)[C@@H](OP(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)n3cnc4c3nc(N)[nH]c4=O)n3ccc(=O)[nH]c3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of two guanosine, one adenosine, one uridine and four cytidine residues connected by 3'->5' phosphodiester linkages in the sequence G-A-C-C-C-C-U-G. It has the role of epitope. It is also related to or classified as RNA fragment.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A phosphatidylserine 36:2(1-) that is the conjugate base of 1-stearoyl-2-linoleoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as phosphatidylserine 36:2(1-) .
The molecule <smiles>COc1cc(cc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O)C(O)=O</smiles> is A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid in which the polyprenyl component is specified as heptaprenyl. It is a conjugate acid of 3-methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate. It is also related to or classified as 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-heptadecanoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O</smiles> is A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-stearoyl-sn-glycero-3-phosphoserine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine(1-) . It is also related to or classified as lysophosphatidylserine 18:0(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A phosphatidylcholine 37:4 in which the acyl substituents at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. Its functional parent is arachidonic acid. Its functional parent is heptadecanoic acid. It is also related to or classified as phosphatidylcholine 37:4 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A  triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specified as oleoyl, linoleoyl and linoleoyl respectively. It has the role of mouse metabolite. Its functional parent is oleic acid. Its functional parent is linoleic acid. It is also related to or classified as 1,2-diacyl-3-linoleoylglycerol . It is also related to or classified as 1,3-diacyl-2-linoleoylglycerol . It is also related to or classified as triacyl-sn-glycerol . It is also related to or classified as linoleoyl containing 1,2,3-triacyl-sn-glycerol .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 7 prenyl units; major species at pH 7.3. It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and (9Z,12Z)-octadecadienoyl respectively. It has the role of mouse metabolite. Its functional parent is linoleic acid. Its functional parent is octadecanoic acid. It is a conjugate acid of 1-stearoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine(1-). It is also related to or classified as phosphatidylserine(18:0/18:2) .
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC\C=C/CCCCCCCC</smiles> is A N-hexacosenoylsphingosine-1-phosphocholine consisting of sphingosine as the sphingoid base acylated at the N atom by a (17Z)-hexacosenoyl group. It has the role of mouse metabolite. Its functional parent is (17Z)-hexacosenoic acid. It is also related to or classified as N-hexacosenoylsphingosine-1-phosphocholine .
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(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)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of three cytidine, three guanosine and two uridine residues connected by 3'->5' phosphodiester linkages in the sequence C-G-U-U-C-G-C-G. It has the role of epitope. It is also related to or classified as RNA fragment.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(cc(O)c1O)C([O-])=O</smiles> is A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. It is also related to or classified as 3,4-dihydroxy-5-polyprenylbenzoate.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in which the acyl group specified is heneicosanoyl. It has the role of mouse metabolite. Its functional parent is henicosanoic acid. It is also related to or classified as sphingomyelin d18:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 1-acyl-sn-glycerophosphoserine in which the acyl group is specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is a conjugate acid of 1-heptadecanoyl-sn-glycero-3-phosphoserine(1-). It is also related to or classified as 1-acyl-sn-glycero-3-phosphoserine .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)CO</smiles> is A 1-acyl-sn-glycero-3-phosphoglycerol in which the acyl group is specified as palmitoyl (hexadecanoyl). Its functional parent is hexadecanoic acid. It is a conjugate acid of 1-palmitoyl-sn-glycero-3-phosphoglycerol(1-). It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in which the acyl group specified is heptadecanoyl. It has the role of mouse metabolite. Its functional parent is heptadecanoic acid. It is also related to or classified as sphingomyelin 35:1 . It is also related to or classified as sphingomyelin d18:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the acyl groups at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. Its functional parent is arachidonic acid. Its functional parent is heptadecanoic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>OC(CCN1CCCC1)(C1CCCCC1)c1ccccc1</smiles> is A tertiary alcohol that consists of propan-1-ol substituted by a cyclohexyl and a phenyl group at position 1 and a pyrrolidin-1-yl group at position 3. It has the role of antiparkinson drug. It has the role of muscarinic antagonist. It has the role of antidyskinesia agent. It is also related to or classified as tertiary alcohol . It is also related to or classified as pyrrolidines.
The molecule <smiles>CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)\C=C\CCCCCCCCCCCCC</smiles> is A sphingomyelin d18:1 in whihc the acyl group specified is nonadecanoyl. It has the role of mouse metabolite. Its functional parent is nonadecanoic acid. It is also related to or classified as sphingomyelin d18:1 .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCCN</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine in which the acyl group is specified as heptadecanoyl. Its functional parent is heptadecanoic acid. It is also related to or classified as lysophosphatidylethanolamine 17:0 . It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine .
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[NH3+])OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at positions 1 and 2 are specified as heptadecanoyl and arachidonoyl respectively. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> is A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 7 prenyl units; major species at pH 7.3. It is also related to or classified as 4-hydroxy-3-polyprenylbenzoate.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[NH3+]</smiles> is A 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-heptadecanoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoethanolamine zwitterion .
The molecule <smiles>CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCC\C=C/CCCCCCCC</smiles> is A N-octadecenolsphingosine-1-phosphocholine in which the acyl group specified is 9Z-octadecenoyl. It has the role of mouse metabolite. Its functional parent is oleic acid. It is also related to or classified as sphingomyelin d18:1/18:1 .
The molecule <smiles>C[C@]12C[C@@]1(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1</smiles> is an azabicycloalkane that is 1,5-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione in which the amino hydrogen is replaced by a 3,5-dichlorophenyl group. A fungicide widely used in horticulture as a seed dressing, pre-harvest spray or post-harvest dip for the control of various diseases. It has the role of antifungal agrochemical. It is also related to or classified as azabicycloalkane, dichlorophenyl dicarboximide fungicide.
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](COP(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](COP(O)(=O)O[C@@H]%11[C@@H](COP(O)(=O)O[C@@H]%12[C@@H](COP(O)(=O)O[C@@H]%13[C@@H](COP(O)(=O)O[C@@H]%14[C@@H](COP(O)(=O)O[C@@H]%15[C@@H](COP(O)(=O)O[C@@H]%16[C@@H](COP(O)(=O)O[C@@H]%17[C@@H](COP(O)(=O)O[C@@H]%18[C@@H](COP(O)(=O)O[C@@H]%19[C@@H](COP(O)(=O)O[C@@H]%20[C@@H](COP(O)(=O)O[C@@H]%21[C@@H](COP(O)(=O)O[C@@H]%22[C@@H](COP(O)(=O)O[C@@H]%23[C@@H](COP(O)(=O)O[C@@H]%24[C@@H](COP(O)(=O)O[C@@H]%25[C@@H](CO)O[C@H]([C@@H]%25O)n%25cnc%26c%25nc(N)[nH]c%26=O)O[C@H]([C@@H]%24O)n%24ccc(=O)[nH]c%24=O)O[C@H]([C@@H]%23O)n%23ccc(=O)[nH]c%23=O)O[C@H]([C@@H]%22O)n%22ccc(=O)[nH]c%22=O)O[C@H]([C@@H]%21O)n%21cnc%22c%21nc(N)[nH]c%22=O)O[C@H]([C@@H]%20O)n%20cnc%21c%20nc(N)[nH]c%21=O)O[C@H]([C@@H]%19O)n%19ccc(N)nc%19=O)O[C@H]([C@@H]%18O)n%18cnc%19c%18nc(N)[nH]c%19=O)O[C@H]([C@@H]%17O)n%17cnc%18c(N)ncnc%17%18)O[C@H]([C@@H]%16O)n%16ccc(N)nc%16=O)O[C@H]([C@@H]%15O)n%15cnc%16c%15nc(N)[nH]c%16=O)O[C@H]([C@@H]%14O)n%14ccc(=O)[nH]c%14=O)O[C@H]([C@@H]%13O)n%13ccc(N)nc%13=O)O[C@H]([C@@H]%12O)n%12ccc(N)nc%12=O)O[C@H]([C@@H]%11O)n%11ccc(N)nc%11=O)O[C@H]([C@@H]%10O)n%10cnc%11c(N)ncnc%10%11)O[C@H]([C@@H]9O)n9ccc(N)nc9=O)O[C@H]([C@@H]8O)n8cnc9c(N)ncnc89)O[C@H]([C@@H]7O)n7ccc(=O)[nH]c7=O)O[C@H]([C@@H]6O)n6cnc7c6nc(N)[nH]c7=O)O[C@H]([C@@H]5O)n5cnc6c(N)ncnc56)O[C@H]([C@@H]4O)n4cnc5c4nc(N)[nH]c5=O)O[C@H]([C@@H]3O)n3ccc(N)nc3=O)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of seven guanosine, five uridine, eight cytidine and four adenosine residues connected by 3'->5' phosphodiester linkages in the sequence G-U-U-U-G-G-C-G-A-C-G-U-C-C-C-A-C-A-U-G-A-G-C-C. It has the role of epitope. It is also related to or classified as RNA fragment.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a heptaprenyl group. It is a conjugate acid of 4-hydroxy-3-all-trans-heptaprenylbenzoate. It is also related to or classified as monohydroxybenzoic acid, olefinic compound.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)CO</smiles> is A 1-acylglycero-3-phospho-1'-glycerol(1-) in which the 1-acyl substituent is specified as hexadecanoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol(1-) .
The molecule <smiles>C1C2C[NH2+]CC1c1cc3nccnc3cc21</smiles> is an organic cation obtained by protonation of the secondary amino group of varenicline. It is a conjugate acid of varenicline. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(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]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]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]3OP(O)(O)=O)n3cnc4c(N)ncnc34)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)n3ccc(N)nc3=O)n3ccc(N)nc3=O)n3ccc(=O)[nH]c3=O)n3cnc4c3nc(N)[nH]c4=O)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c(N)ncnc34)n3cnc4c3nc(N)[nH]c4=O)[C@H]2O)c(=O)n1</smiles> is an RNA fragment comprised of six cytidine, seven guanosine, seven adenosine and five uridine residues connected by 3'->5' phosphodiester linkages in the sequence C-G-A-A-A-G-U-C-C-G-A-U-C-G-G-C-G-U-A-A-U-G-U-C-A. It has the role of epitope. It is also related to or classified as RNA fragment.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC</smiles> is A N-acylsphinganine-1-phosphocholine in which the acyl group specified is heptadecanoyl. It has the role of mouse metabolite. Its functional parent is heptadecanoic acid. It is also related to or classified as N-acylsphinganine-1-phosphocholine .
The molecule <smiles>CCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(O)(O)=O</smiles> is A sphingoid 1-phosphate that is hexadecasphing-4-enine substituted by a phospho group at position 1. It has the role of mouse metabolite. Its functional parent is hexadecasphing-4-enine. It is also related to or classified as sphingoid 1-phosphate .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C([O-])=O</smiles> is A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3. It is also related to or classified as 4-hydroxy-3-polyprenylbenzoate.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as nonaprenyl. It is also related to or classified as 2-polyprenylphenol.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are stearoyl and (8Z,11Z,14Z)-eicosatrienoyl group respectively. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. Its functional parent is all-cis-icosa-8,11,14-trienoic acid. It is also related to or classified as phosphatidylserine(18:0/20:3) .
The molecule <smiles>C1[C@H]2CNC[C@@H]1c1cc3nccnc3cc21</smiles> is an organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. It has the role of serotonergic agonist. It has the role of nicotinic acetylcholine receptor agonist. It is also related to or classified as bridged compound, organic heterotetracyclic compound, secondary amino compound.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as decaprenyl. It is also related to or classified as 2-polyprenylphenol.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O</smiles> is A member of the class of 2-polyprenylphenol in which the polyprenyl component is specified as heptaprenyl. It is also related to or classified as 2-polyprenylphenol.
The molecule <smiles>OCC(O)COP([O-])(=O)OC[C@H](O)CO</smiles> is A glycerophosphoglycerol(1-) obtained by deprotonation of the phosphate OH group of sn-glycero-3-phosphoglycerol; major species at pH 7.3. It is also related to or classified as glycerophosphoglycerol(1-) .
The molecule <smiles>COc1cc2CCN[C@@H](Cc3ccc(Oc4cc(C[C@H]5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O</smiles> is A benzylisoquinoline alkaloid that is berbamunine in which the  methyl group is replaced with a hydrogen on one of the tetrahydroisoquinolinol rings. It has the role of metabolite. Its functional parent is berbamunine. It is also related to or classified as bisbenzylisoquinoline alkaloid, isoquinolinol, benzyltetrahydroisoquinoline.
The molecule <smiles>OCC(O)COP(O)(=O)OC[C@H](O)CO</smiles> is A glycerophosphoglycerol where both glycerol moieties are attached at primary positions and one stereocentre has R-configuration. It is a conjugate acid of sn-glycero-3-phosphoglycerol(1-). It is also related to or classified as glycerophosphoglycerol .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cc(ccc1O)C(O)=O</smiles> is A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by a nonaprenyl group. It is a conjugate acid of 4-hydroxy-3-all-trans-nonaprenylbenzoate. It is also related to or classified as monohydroxybenzoic acid, olefinic compound.
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)OCC(O)CO</smiles> is A 1-acyl-sn-glycero-3-phosphoglycerol in which the acyl group is specified as oleoyl. Its functional parent is oleic acid. It is a conjugate acid of 1-oleoyl-sn-glycero-3-phosphoglycerol(1-). It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol .
The molecule <smiles>O[C@H]([C@@H](O)C(O)=O)C(O)=O.C1C2CNCC1c1cc3nccnc3cc21</smiles> is A tartrate salt obtained by reaction of varenicline with one equivalent of (R,R)-tartaric acid. A partial agonist for nicotinic cholinergic receptors, it is used as an aid to giving up smoking. It has the role of serotonergic agonist. It has the role of nicotinic acetylcholine receptor agonist. It is also related to or classified as tartrate salt.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@H](N)C(O)=O</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are palmitoyl and stearoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. Its functional parent is octadecanoic acid. It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cccc(O)c1O</smiles> is A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-heptaprenyl moiety. It is also related to or classified as 3-(all-trans-polyprenyl)benzene-1,2-diol.
The molecule <smiles>COc1cccc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> is A 2-methoxy-6-(all-trans-polyprenyl)phenol in which the polyprenyl component is specified as all-trans-heptaprenyl. It is also related to or classified as 2-methoxy-6-(all-trans-polyprenyl)phenol .
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC</smiles> is A 3-sn-phosphatidyl L-serine in which the phosphatidyl acyl group at both positions 1 and 2 is stearoyl. It has the role of mouse metabolite. Its functional parent is octadecanoic acid. It is also related to or classified as 3-sn-phosphatidyl-L-serine .
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cccc(O)c1O</smiles> is A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-nonaprenyl moiety. It is also related to or classified as 3-(all-trans-polyprenyl)benzene-1,2-diol.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1cccc(O)c1O</smiles> is A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-decaprenyl moiety. It is also related to or classified as 3-(all-trans-polyprenyl)benzene-1,2-diol.
The molecule <smiles>CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)CCCCCCCCCCCCCCC</smiles> is A N-acylsphinganine-1-phosphocholine in which the acyl group specified is tetracosanoyl. It has the role of mouse metabolite. Its functional parent is tetracosanoic acid. It is also related to or classified as N-acylsphinganine-1-phosphocholine . It is also related to or classified as sphingomyelin 42:0 .
The molecule <smiles>CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC(O)CO</smiles> is A 1-acyl-sn-glycero-3-phosphoglycero(1-) in which the 1-acyl substituent is specified as oleoyl; major species at pH 7.3. It is also related to or classified as 1-acyl-sn-glycero-3-phosphoglycerol(1-) .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC</smiles> is A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) in which  acyl groups at positions 1 and 2 are specified as palmitoyl and arachidonoyl respectively. It has the role of mouse metabolite. Its functional parent is hexadecanoic acid. Its functional parent is arachidonic acid. It is also related to or classified as 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) .
The molecule <smiles>COc1cccc(C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c1O</smiles> is A 2-methoxy-6-(all-trans-polyprenyl)phenol in which the polyprenyl component is specified as all-trans-nonaprenyl. It is also related to or classified as 2-methoxy-6-(all-trans-polyprenyl)phenol .