mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>O(P(=O)(OC[C@H](CO)O)[O-])C[C@H](OC(CCCCCCC/C=C\CCCCCCCC)=O)CO</smiles> is 2-oleoyl-sn-glycero-3-phospho-(1'-sn-glycerol). Its functional parent is 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)(1-). It is also related to or classified as 2-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) . It is also related to or classified as organic molecular entity.
The molecule <smiles>OC12C3C(C4(C(CC3)CC(OC(=O)CCC(=O)NC(CCCN=C(N)N)C(O)=O)CC4)C)CCC1(C(C(OC(=O)C)C2)C=5C=CC(OC5)=O)C</smiles> is Bufotalin 3-succinoylarginine ester. Its functional parent is bufanolide. It is also related to or classified as steroid lactone.
The molecule <smiles>O(C1=C2C(=C(C=C1OC)NC(CCCN)C)N=C(C=C2C)OC)C3=CC(C(F)(F)F)=CC=C3</smiles> is an aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group.  It is also related to or classified as aminoquinoline . It is also related to or classified as aromatic ether, primary amino compound, secondary amino compound, (trifluoromethyl)benzenes.
The molecule <smiles>[Cr+6]</smiles> is chromium(6+). It is also related to or classified as monoatomic hexacation . It is also related to or classified as chromium cation.
The molecule <smiles>C1([C@@H](O)C[NH3+])=CC=C(O)C=C1</smiles> is in nature, p-octopamine is believed to exist in only one stereoisomeric form, the L- or [R-(-)] form. Its functional parent is 2-phenylethylamine. It is also related to or classified as octopaminium .
The molecule <smiles>[H][C@@]12CC=C(C)C=C1C(C)(C)CCC[C@H]2C</smiles> is A sesquiterpene that is (9aS)-5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulene substituted by methyl groups at positions 3, 5, 5 and 9R. It is a pheromone produced by males of several Phyllotreta species. It has the role of pheromone. It has the role of animal metabolite.  It is also related to or classified as sesquiterpene . It is also related to or classified as volatile organic compound, carbobicyclic compound.
The molecule <smiles>O([C@@H]1[C@H]([C@H](O[C@@H]2[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)C)[C@@H]([C@H]2O)O)CO)O[C@@H]([C@@H]1O)CO)O)[C@]3(O[C@]([C@@H]([C@H](C3)O)NC(CO)=O)([C@@H]([C@H](O[C@]4(O[C@]([C@@H]([C@H](C4)O)NC(CO)=O)([C@@H]([C@@H](CO)O)O)[H])C(=O)O)CO)O)[H])C(O)=O</smiles> is A sialodiosylceramide consisting of the tetrasaccharide alpha-Neu5NGc-(2->8)-alpha-Neu5NGc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide. It is also related to or classified as sialodiosylceramide.
The molecule <smiles>O(C(=O)C(CC)C)CC1=CC=CC=C1</smiles> is Benzyl D-2-methylbutyrate. Its functional parent is benzyl alcohol. It is also related to or classified as carboxylic ester .
The molecule <smiles>CC(C)=CCC\C(C)=C/CCC(C)(O)C=C</smiles> is A nerolidol in which the double bond at position 6 adopts a cis-configuration. It is also related to or classified as nerolidol .
The molecule <smiles>O1C(C(OC(=O)/C=C/C2=CC=C(O)C=C2)C(OC(=O)C)C(OC(=O)C)C1OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC=C(O)C=C5)C</smiles> is Kaempferol 3-(2'',3''-diacetyl-4''-p-coumaroylrhamnoside). It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>c1cn(cn1)[C@H](c1ccccc1)c1ccc(cc1)-c1ccccc1</smiles> is A 1-[biphenyl-4-yl(phenyl)methyl]imidazole that is the R-enantiomer of bifonazole. It is also related to or classified as 1-[biphenyl-4-yl(phenyl)methyl]imidazole .
The molecule <smiles>CS(O)(=O)=O.CN(C)C(=O)COC(=O)CC1=CC=C(OC(=O)C2=CC=C(NC(N)=N)C=C2)C=C1</smiles> is A methanesulfonate (mesylate) salt prepared from equimolar amounts of camostat and methanesulfonic acid. It is a serine protease inhibitor approved and marketed  in Japan in 1985 for the alleviation of acute symptoms associated with chronic pancreatitis. In 1994, it was approved for the treatment of postoperative reflux esophagitis. It has the role of anticoronaviral agent. It has the role of antiviral agent. It has the role of antineoplastic agent. It has the role of antihypertensive agent. It has the role of antifibrinolytic drug. It has the role of serine protease inhibitor. It has the role of anti-inflammatory agent. It is also related to or classified as methanesulfonate salt.
The molecule <smiles>C1(NC(CC1)(C(=O)[O-])O)=O</smiles> is an oxoproline derivative having an hydroxy group placed at the 2-position and the oxo group placed at the 5-position; major microspecies at pH 7.3. Its functional parent is 5-oxoprolinate. It is also related to or classified as alpha-amino-acid anion.
The molecule <smiles>O1[C@@H](CC(=O)C2=C1C=C(O)C=C2OC)C3=CC=CC=C3</smiles> is Alpinetin. It is also related to or classified as ether . It is also related to or classified as flavonoids.
The molecule <smiles>[NH3+][C@H]1C[C@@H]([NH3+])[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]2O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1[NH3+]</smiles> is an organic cation obtained by protonation of the primary amino groups of kanamycin C. It is a conjugate acid of kanamycin C. It is also related to or classified as organic cation, ammonium ion derivative.
The molecule <smiles>[H][C@]1(CCC(C)=C[C@H]1O)[C@H](C)CCC=C(C)C</smiles> is A sesquiterpenoid that is bisabolane having double bonds at positions 2 and 9 as well as a hydroxy substituent at position 1 (the 1S,6S,7R-stereoisomer). It is a male produced sex pheromone of Tibraca limbativentris. It has the role of pheromone. It has the role of animal metabolite. It is also related to or classified as volatile organic compound, sesquiterpenoid.
The molecule <smiles>[C@@]1(O[C@]([C@H](N)[C@H](C1)O)(CO)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo N-acetyl group has been deacetylated. Its functional parent is ganglioside GM2 (18:0). It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>CC(C)(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)C(O)=O</smiles> is A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia. It has the role of geroprotector. It has the role of antilipemic drug. It has the role of xenobiotic. It has the role of environmental contaminant. Its functional parent is propionic acid.  It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as monocarboxylic acid, aromatic ether, monochlorobenzenes.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)(CO)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the sialo residue is truncated at C-7. Its functional parent is ganglioside GM2 (18:0). It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>C(C(OCC)=O)[C@@H](C(OCC)=O)SP(OC)(OC)=O</smiles> is A diethyl 2-[(dimethoxyphosphoryl)thio]succinate that is the S-enantiomer of malaoxon. It is also related to or classified as diethyl 2-[(dimethoxyphosphoryl)thio]succinate .
The molecule <smiles>CC(C)CCCC(C)C1CCC(C)CC1</smiles> is A cycloalkane that is cyclohexane substituted by a methyl group at position 1 and by a 6-methylheptan-2-yl at position 4. Its skeleton structure is found in many sesquiterpenes and sesquiterpenoids. It is also related to or classified as cycloalkane . It is also related to or classified as sesquiterpene . It is also related to or classified as terpenoid fundamental parent.
The molecule <smiles>OC(CCC/C=C\C/C=C\C/C=C\CCCCC(O)=O)C</smiles> is 17-hydroxy-linolenic acid. It is also related to or classified as octadecatrienoic acid, (omega-1)-hydroxy fatty acid.
The molecule <smiles>C(C(OCC)=O)[C@H](C(OCC)=O)SP(OC)(OC)=O</smiles> is A diethyl 2-[(dimethoxyphosphoryl)thio]succinate that is the R-enantiomer of malaoxon. It is also related to or classified as diethyl 2-[(dimethoxyphosphoryl)thio]succinate .
The molecule <smiles>OC12C3N(C[C@]4(C(C3(C5C6[C@]1(OC)C[C@H](OC)C(C5)C6OC)C(OC)CC4)C2OC)CO)CC</smiles> is 8-Methyllycoctonine. Its functional parent is aconitane. It is also related to or classified as diterpene alkaloid.
The molecule <smiles>OC(=O)[C@@H](N)CCC1=C([N+](CCCC[C@H](N)C(O)=O)=CC(=C1)CC[C@H](N)C(O)=O)/C(/CC[C@H](N)C(O)=O)=C/CCC[C@H](N)C(O)=O</smiles> is Pentasine. Its functional parent is hexacarboxylic acid. It is also related to or classified as organooxygen compound.
The molecule <smiles>C(C(OCC)=O)C(C(OCC)=O)SP(OC)(OC)=O</smiles> is A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphoryl)thio group. It is also related to or classified as ethyl ester .  It is also related to or classified as diester . It is also related to or classified as organic thiophosphate.
The molecule <smiles>O1C([C@H](O)[C@H](O)C(O)[C@@H]1OC2=C3C(OC(=C(O)C3=O)C4=CC=C(O)C=C4)=CC(OC)=C2OC)C</smiles> is Eupalitin 5-rhamnoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C(C(OCC)=O)[C@@H](C(OCC)=O)SP(OC)(OC)=S</smiles> is A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the S-enantiomer of malathion. It is also related to or classified as diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate .
The molecule <smiles>C(C(OCC)=O)[C@H](C(OCC)=O)SP(OC)(OC)=S</smiles> is A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the R-enantiomer of malathion. It is also related to or classified as diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate .
The molecule <smiles>OC(=O)CCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC</smiles> is 6,9,12,15,18,21-Tetracosahexaenoic acid. It is also related to or classified as very long-chain fatty acid .
The molecule <smiles>O[C@@]1([C@@]2([C@](CC1)(C(=CO[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@H]3O)CO[C@@H]4OC[C@@](O)([C@@H]4O)CO)C(O)=O)[H])[H])C</smiles> is 6-O-beta-D-Apiofuranosyl-mussaenosidic acid. It is also related to or classified as glycoside . It is also related to or classified as iridoid monoterpenoid.
The molecule <smiles>C(C(OCC)=O)C(C(OCC)=O)SP(OC)(OC)=S</smiles> is A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. Its functional parent is diethyl 2-sulfanylbutanedioate. It is also related to or classified as ethyl ester .  It is also related to or classified as diester . It is also related to or classified as organic thiophosphate.
The molecule <smiles>Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1</smiles> is A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. It has the role of antibacterial agent. It has the role of antiinfective agent. Its functional parent is biguanide. It is also related to or classified as biguanides, monochlorobenzenes.
The molecule <smiles>O1C(CC(O)C=2C1=CC(OC)=C(C2O)C(=O)CCC3=CC=C(OC4OC(C(O)C(O)C4O)C(O)=O)C=C3)(C)C</smiles> is 6-{4-[3-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>OC(=O)CNC([C@H](CSC)NC(=O)CC[C@H]([NH3+])C(=O)[O-])=O</smiles> is A zwitterion resulting from the transfer of a proton for the carboxy group to the amino group of the L-gamma-glutamyl residue of S-methylglutathione. It is a conjugate acid of S-methyl glutathione(1-). It is also related to or classified as zwitterion .
The molecule <smiles>CCCCCCOC(=O)CCCCCC</smiles> is A heptanoate ester obtained by the formal condensation of the carboxy group of heptanoic acid (enanthic acid) with hexan-1-ol. It has the role of volatile oil component. It has the role of flavouring agent. It has the role of human metabolite. Its functional parent is hexan-1-ol. It is also related to or classified as heptanoate ester .
The molecule <smiles>OC([C@H](CCC(N[C@H](C(NCC(O)=O)=O)CSC)=O)N)=O</smiles> is an S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a methyl group. It is also related to or classified as S-substituted glutathione . It is also related to or classified as methyl sulfide .
The molecule <smiles>[V++]</smiles> is vanadium(2+). It is also related to or classified as monoatomic dication . It is also related to or classified as vanadium cation, divalent metal cation.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(OC)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been esterified to form its methyl ester. Its functional parent is ganglioside GM2 (18:0). It is also related to or classified as methyl ester . It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC=C(C(=O)C3C=C2)C4=CC=C(OC)C=C4)COC(=O)C</smiles> is Formononetin 7-O-(6''-acetylglcoside). It is also related to or classified as acrovestone . It is also related to or classified as isoflavonoid.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(NC)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into an N-methylcarboxamide. Its functional parent is ganglioside GM2 (18:0). It is also related to or classified as dicarboxylic acid diamide, sialotriaosylceramide.
The molecule <smiles>C=1(C=CC(=CC1)C(C)(C)C)C(C(=O)C=2C=CC=CC2C(F)(F)F)C#N</smiles> is A beta-ketonitrile resulting from the hydrolysis and decarboxylation of the proherbicide cyflumetofen. It has the role of acaricide. It has the role of mitochondrial respiratory-chain inhibitor. It is also related to or classified as beta-ketonitrile, aromatic ketone, (trifluoromethyl)benzenes.
The molecule <smiles>[H]OB([O-])[O-]</smiles> is hydrogenborate. It is a conjugate acid of borate. It is also related to or classified as borate ion.
The molecule <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC(CC=C(C)C)=C(O)C=C4)COC5OC(C(O)C(O)C5O)C</smiles> is 3'-Prenylapigenin 7-[rhamnosyl-(1->6)-glucoside]. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@H]2OP([O-])(=O)O[C@@H]12</smiles> is A 2',3'-cyclic nucleotide(1-) which is obtained from 2',3'-cyclic GMP by removal of a proton from the cyclic phosphate group. It is also related to or classified as 2',3'-cyclic nucleotide(1-) .
The molecule <smiles>[O-]C([C@H](CCC(N[C@H](C(NCC([O-])=O)=O)CSSC)=O)[NH3+])=O</smiles> is an S-substituted glutathione(1-) resulting from the protonation of the primary amino group and the deprotonation of both of the carboxy groups of S-methylthio glutathione. The major microspecies at pH 7.3. Its functional parent is glutathionate(1-). It is also related to or classified as S-substituted glutathione(1-) .
The molecule <smiles>C(C/C=C\CCCCCCCCCCC)CCC(=O)[O-]</smiles> is an unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselinic acid. The major species at pH 7.3. It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as octadecenoate . It is also related to or classified as unsaturated fatty acid anion.
The molecule <smiles>[O-]C([C@H](CCC(N[C@H](C(NCC([O-])=O)=O)CSC)=O)[NH3+])=O</smiles> is an S-substituted glutathione(1-) resulting from the protonation of the primary amino group and the deprotonation of both of the carboxy groups of S-methyl glutathione. The major microspecies at pH 7.3. It is also related to or classified as S-substituted glutathione(1-) .
The molecule <smiles>O1C(C(O)C(O)C(O)C1OC=2C=C3OC(=C(O)C(=O)C3=C(O)C2)C4=CC(O)=C(O)C=C4)COC(=O)C5=CC(O)=C(O)C(O)=C5</smiles> is 6''-O-Galloylquercimeritrin. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>S(CC([C@H]([C@@H](COP(=O)([O-])[O-])O)O)=O)C</smiles> is an organophosphate oxoanion that is the dianion of 1-methylthio-D-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major microspecies at pH 7.3. Its functional parent is D-xylulose 5-phosphate(2-). It is also related to or classified as organophosphate oxoanion.
The molecule <smiles>NC(CCC(N)=O)C([O-])=O</smiles> is an alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group. It is also related to or classified as alpha-amino-acid anion.
The molecule <smiles>O1C2C(OC3=C2C=4N(C=5C(C(=O)C4C(O)=C3)=CC=CC5)C)C(O)(C1)C</smiles> is Rutagravine. Its functional parent is acridone. It is also related to or classified as acridines.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(N)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is ganglioside GM2 (18:0) in which the carboxy function of the sialic acid residue has been converted into a carboxamide. Its functional parent is ganglioside GM2 (18:0). It is also related to or classified as dicarboxylic acid diamide, sialotriaosylceramide.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)N)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A glycosphingolipid that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose linked (1<->1') to sphingosine [(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol].  A synthetic modification of the natural ganglioside GM2. It is also related to or classified as glycosphingolipid.
The molecule <smiles>O(C1=C(OC)C=C(C=C1)/C=C/COC(=O)/C(/C)=C\C)C(=O)/C(/C)=C\C</smiles> is Coniferyl diangelate. It is also related to or classified as phenols . It is also related to or classified as benzoate ester.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)C)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is acetyl. A synthetic modification of the natural ganglioside GM2. It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)OC(OP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](CCC([O-])=O)C(=O)N[C@@H](CCCC[NH3+])C([O-])=O</smiles> is trianion of UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl-L-lysine. It is also related to or classified as dicarboxylic acid anion, organophosphate oxoanion.
The molecule <smiles>OC(CC(O)CCC1=CC(OC)=C(O)C=C1)CCCCCCC</smiles> is 8-Gingediol. It is also related to or classified as glycol .  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is pentanoyl. A synthetic modification of the natural ganglioside GM2. It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>[Cr+5]</smiles> is chromium(5+). It is also related to or classified as monoatomic pentacation . It is also related to or classified as chromium cation.
The molecule <smiles>OC(CC(O)CCC1=CC(OC)=C(O)C=C1)CCCCC</smiles> is 6-Gingediol. It is also related to or classified as glycol .  It is also related to or classified as phenols . It is also related to or classified as monomethoxybenzene.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is octanoyl. A synthetic modification of the natural ganglioside GM2. It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>O1[C@](C(O)[C@@H](O)[C@H](O)C1CO)(C2=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)COC(=O)/C=C/C4=CC(OC)=C(O)C=C4)C=C5OC(=CC(=O)C5=C2O)C6=CC=C(O)C=C6)[H]</smiles> is Isovitexin 7-O-beta-[6'''-O-(E)-p-feruloyl]glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>O=C1[C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=C[C@H](O)CC4)C)(CC2)[H])[H])(CC1)[H])C</smiles> is 3alpha-Hydroxy-androst-4-ene-17-one. It has the role of androgen. It is also related to or classified as 3-hydroxy steroid.
The molecule <smiles>[C@@]1(O[C@]([C@H](NC(=O)C)[C@H](C1)O)([C@@H]([C@H](O)CO)O)[H])(C(O)=O)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@@H](OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCC)O)NC(=O)CCCCCCCCCCCCCCC)[C@@H]([C@H]3O)O)CO)CO)O[C@H]4[C@@H]([C@H]([C@@H](O)[C@H](O4)CO)O)NC(C)=O</smiles> is A sialotriaosylceramide that is N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on the sphingosine nitrogen is hexadecanoyl. A synthetic modification of the natural ganglioside GM2. It is also related to or classified as sialotriaosylceramide.
The molecule <smiles>[H+].OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1</smiles> is an organic cation that is the conjugate acid of bepotastine. It is a conjugate acid of bepotastine. It is also related to or classified as organic cation.
The molecule <smiles>O1C(C(O)C(O)C(O)C1OC2=CC=3OC(CC(=O)C3C=C2)C4=CC=C(OC)C=C4)C</smiles> is 4'-Methylliquiritigenin 7-rhamnoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C(=O)([C@@H](N)CC=1C=CC(=CC1)O)N[C@H](C(=O)O)[C@H](O)C</smiles> is A dipeptide obtained by formal condensation of the carboxy group of L-tyrosine with the amino group of L-threonine. Its functional parent is L-threonine. Its functional parent is L-tyrosine. It is also related to or classified as dipeptide .
The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=C(C3OC=4C(C(=O)C3)=C(O)C=C(O)C4)C=C2)CO</smiles> is Naringenin 4'-O-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.