mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OCC(C(=O)O)OP(=O)(O)O)O)O)N</smiles> is a 3-ADP-glyceric acid having a phosphate group at the 2-position of the glyceric acid moiety. It is a tetronic acid derivative and a 3-ADP-glyceric acid. It derives from a glyceric acid. It is a conjugate acid of a 3-ADP-2-phosphoglycerate(5-).
The molecule <smiles>CNC(=O)\C=C(/C)OP(=O)(OC)OC</smiles> is an alkenyl phosphate that is the 4-(methylamino)-4-oxobut-2-en-2-yl ester of dimethyl phosphate. It has the role of acaricide. It has the role of agrochemical. It has the role of avicide. It has the role of EC 3.1.1.8 (cholinesterase) inhibitor. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. It has the role of EC 1.4.3.4 (monoamine oxidase) inhibitor.   It is also related to or classified as monocarboxylic acid amide . It is also related to or classified as dialkyl phosphate, organophosphate insecticide, alkenyl phosphate.
The molecule <smiles>C12=C(N=CN=C1N)N(C=N2)[C@@H]3O[C@@H]([C@@H](C3O)OP(=O)([O-])[O-])COP(=O)(OP(=O)(OCC([C@](C(NCCC(NCCSC(CCCCCCC[C@@H]4[C@@H](C(CC4)=O)C/C=C\CC)=O)=O)=O)(O)[H])(C)C)[O-])[O-]</smiles> is an acyl-CoA(4-) that is the tetraanion of 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate-coA, arising from deprotonation of phosphate and diphosphate functions.  It is also related to or classified as acyl-CoA(4-) . It is also related to or classified as Jasmonate derivatives.
The molecule <smiles>[H]SSSS[H]</smiles> is tetrasulfane. It is a conjugate acid of tetrasulfanide. It is also related to or classified as sulfur hydride.
The molecule <smiles>O[13C](=O)[13CH2][13CH2]CCCCCCCCCCC</smiles> is myristic acid-13C3.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as (13)C-modified compound.
The molecule <smiles>CCCCC\C=C/C\C=C/C\C=C/CCCCCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of all-cis-icosa-8,11,14-trienoic acid arising from deprotonation of the carboxy group.  It is also related to or classified as icosatrienoate . It is also related to or classified as long-chain fatty acid anion . It is also related to or classified as straight-chain fatty acid anion, polyunsaturated fatty acid anion.
The molecule <smiles>C[C@@H]1O[C@H](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](NC(C)=O)[C@@H](O)[C@H]1N</smiles> is A UDP-amino sugar having 4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine as the amino sugar component. Its functional parent is beta-L-altrose. It is a conjugate acid of UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine(1-). It is also related to or classified as UDP-amino sugar.
The molecule <smiles>CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C</smiles> is a tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. It has a role as a cysteine protease inhibitor. It is a tripeptide and an aldehyde.
The molecule <smiles>O[C@H]([C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)C(=O)COP(O)(=O)O</smiles> is octulose 1-phosphate. It is also related to or classified as ketose phosphate, ketooctose derivative.
The molecule <smiles>[H]N([H])[H]</smiles> is an azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. It has the role of NMR chemical shift reference compound. It has the role of metabolite. It has the role of neurotoxin. It has the role of nucleophilic reagent. It has the role of mouse metabolite. It has the role of EC 3.5.1.4 (amidase) inhibitor. It has the role of refrigerant. It is a conjugate acid of azanide. It is also related to or classified as gas molecular entity, azane, mononuclear parent hydride.
The molecule <smiles>C[C@@H]1O[C@H](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](NC(C)=O)[C@@H](O)[C@H]1[NH3+]</smiles> is monoanion of UDP-4-amino-4,6-dideoxy-L-N-acetyl-beta-L-altrosamine arising from deprotonation of the diphosphate and protonation of the amino function; major species at pH 7.3. It is also related to or classified as UDP-amino sugar.
The molecule <smiles>COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O</smiles> is a monomethoxyflavone that is apigenin in which the hydroxy group at position 7 is methylated. It has a role as a metabolite. It is a dihydroxyflavone and a monomethoxyflavone. It derives from an apigenin.
The molecule <smiles>O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC(O)=C(C(O)=C2)C(=O)CCC3=CC=C(O)C=C3)COC(=O)C4=CC(O)=C(O)C(O)=C4</smiles> is [(2r,3s,4s,5r,6s)-6-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>C(=CCCO)(C)C</smiles> is A homoallylic alcohol that is 2-methylpent-2-ene in which a hydrogen of the methyl group at position 5 has been replaced by a hydroxy group. It has the role of plant metabolite. It is also related to or classified as homoallylic alcohol . It is also related to or classified as primary alcohol .
The molecule <smiles>O.O.O.O.O.O.[Mn+2].S([O-])([O-])(=O)=O</smiles> is A hydrate that is the hexahydrate form of manganese(II) sulfate. It has the role of nutraceutical. It is also related to or classified as manganese molecular entity, hydrate, metal sulfate.
The molecule <smiles>C1=C(C(C(=CC1=O)OC)=O)C/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)\C)\C)\C)\C</smiles> is A 2-methoxy-6-all-trans-polyprenylbenzoquinone 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-1,4-benzoquinone.
The molecule <smiles>OC=1C(=C(C(=C(C1[2H])[2H])[2H])[2H])C(O)=O</smiles> is salicylic acid-d4. Its functional parent is salicylic acid. It is also related to or classified as hydroxybenzoic acid.
The molecule <smiles>C(CCCCCCC/C=C\CCCCCC)(=O)NCC(O)=O</smiles> is A fatty acid amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the amino group of glycine. It has the role of human metabolite. Its functional parent is palmitoleic acid. It is a conjugate acid of N-[(9Z)-hexadecenoyl]glycinate. It is also related to or classified as N-acylglycine 16:1 . It is also related to or classified as fatty amide.
The molecule <smiles>[H][C@@]12C[C@@]3([H])C(C(=O)c4c(O)cccc4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C</smiles> is A derivative of tetracycline in which the amide function is substituted with a pyrrolidinomethyl group. It has the role of antiprotozoal drug. It has the role of antibacterial drug. It has the role of protein synthesis inhibitor. It has the role of prodrug. It is also related to or classified as tertiary alpha-hydroxy ketone . It is also related to or classified as tetracyclines.
The molecule <smiles>C/C/1=C\\[C@H]([C@H]2[C@H](CC(=C)[C@H](CC1)O)OC(=O)C2=C)O</smiles> is a germacrane sesquiterpenoid found in Tanacetum vulgare, Anthemis altissima and Anthemis melanolepsis that is tatridin A in which the double bond at position 9-10 has migrated to position 10-14. It has a role as a metabolite. It is a gamma-lactone, a diol, a germacrane sesquiterpenoid and an organic heterobicyclic compound.
The molecule <smiles>O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCCO)(C)C)C=C2)[H]</smiles> is Benzeneheptanol, 3-hydroxy-4-[(1r,3s)-3-hydroxycyclohexyl]-.eta.,.eta.-dimethyl-, rel-.  It is also related to or classified as alkylbenzene . It is also related to or classified as ring assembly.
The molecule <smiles>[C@@H]1(N2C(NC(=O)C(=C2)C)=O)O[C@H](COP(OP(O[C@H]3O[C@@H]([C@H](CC3)[NH2+]C)C)(=O)[O-])(=O)[O-])[C@H](C1)O</smiles> is A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3. It has the role of bacterial metabolite. It is also related to or classified as nucleotide-sugar oxoanion.
The molecule <smiles>C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is A alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-Galp that has beta-configuration at the anomeric hydroxy group. It is also related to or classified as alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-D-Galp .
The molecule <smiles>C1=CC2=C3C(C=CC4=CC=CC(C=C2)=C34)=C1</smiles> is an ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. It has the role of fluorescent probe. It has the role of persistent organic pollutant. It is also related to or classified as ortho- and peri-fused polycyclic arene.
The molecule <smiles>N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is A dipeptide comprising L-arginine with a L-glutamic acid residue attached to the N(1) nitrogen. It is also related to or classified as dipeptide .
The molecule <smiles>C=1(C(=C(C2=C(C1C)COC2=O)O)C/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)OC</smiles> is 4-farnesyl-3,5-dihydroxy-6-methoxylphthalide. Its functional parent is 4-farnesyl-3,5-dihydroxy-6-methylphthalide. It is also related to or classified as 2-benzofurans.
The molecule <smiles>C(CCCCCCCC(=O)NCC(O)=O)CCCCCCCCC</smiles> is A fatty acid amide resulting from the formal condensation of the carboxy group of octadecanoic acid with the amino group of glycine. It has the role of human metabolite. Its functional parent is octadecanoic acid. It is a conjugate acid of N-octadecanoylglycinate. It is also related to or classified as N-acylglycine 18:0 . It is also related to or classified as fatty amide.
The molecule <smiles>O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)/C=C/C=3C(O)=C(O)C(=C(O)C3)\C=C\C(C)C)C(O)=O</smiles> is 3,4,5-trihydroxy-6-{4-[(E)-2-{2,3,5-trihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]phenoxy}oxane-2-carboxylic acid. It is also related to or classified as glycoside . It is also related to or classified as stilbenoid.
The molecule <smiles>COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O</smiles> is a monomethoxyflavone that is the 4'-methyl ether derivative of luteolin. It has a role as an antioxidant, an antineoplastic agent, a plant metabolite and a tropomyosin-related kinase B receptor agonist. It is a monomethoxyflavone, a trihydroxyflavone and a 3'-hydroxyflavonoid. It derives from a luteolin.
The molecule <smiles>S1C(N[C@@H](C1)C(O)=O)CCCCCCCCCCC</smiles> is 4-thiazolidinecarboxylic acid, 2-undecyl-, (4r)-. It is also related to or classified as L-alpha-amino acid .
The molecule <smiles>C[C@@H]1CC(O[C@H](CC1)C(C)C)=O</smiles> is A 7-isopropyl-4-methyloxepan-2-one that has 4S,7R configuration. Its functional parent is (+)-menthone. It is also related to or classified as 7-isopropyl-4-methyloxepan-2-one .
The molecule <smiles>[O-]C([O-])=O.[K+].[K+]</smiles> is A potassium salt that is the dipotassium salt of carbonic acid. It has the role of fertilizer. It has the role of catalyst. It has the role of flame retardant. It is also related to or classified as potassium salt, carbonate salt.
The molecule <smiles>O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1OC)O[C@H]2O[C@@H]([C@H]([C@@H]([C@@H]2OC)O)NC([C@H](CCO)O)=O)C)O)NC([C@H](CCO)O)=O)C</smiles> is an amido disaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa (PDB entry: 1F4Y). It has the role of epitope. Its functional parent is alpha-D-mannose. It is also related to or classified as amino disaccharide, methyl glycoside.
The molecule <smiles>O[13C](=O)[13CH2][13CH2][13CH2]CCCCCCCCCCCC</smiles> is hexadecanoic acid-13C4.  It is also related to or classified as long-chain fatty acid . It is also related to or classified as (13)C-modified compound.
The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C(O)=O)CC(C)C)=C\CCCCCCCC</smiles> is an L-leucine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-leucine. Its functional parent is oleic acid. It is a conjugate acid of N-oleoyl-L-leucinate. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid . It is also related to or classified as L-leucine derivative.
The molecule <smiles>CC(O)=O.N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(O)=O)C(O)=O</smiles> is the acetate salt of L-arginyl-L-glutamic acid. It is also related to or classified as organic molecular entity, acetate salt.
The molecule <smiles>COC(=O)C=C(C)OP(=O)(OC)OC</smiles> is mevinphos. It has the role of acaricide. It has the role of agrochemical. It has the role of avicide. It has the role of EC 3.1.1.7 (acetylcholinesterase) inhibitor. Its functional parent is methyl 3-hydroxybut-2-enoate. It is also related to or classified as dialkyl phosphate, organophosphate insecticide.
The molecule <smiles>CCC(=O)CO</smiles> is a primary alpha-hydroxy ketone that is butane-1,2-diol in which the hydroxy group at position 2 has been formally oxidised to give the corresponding ketone. It derives from a butan-2-one and a butane-1,2-diol.
The molecule <smiles>NC(C(O)=O)c1ccc(O)cc1</smiles> is A glycine molecule carrying a 4-hydroxyphenyl substituent. It has the role of bacterial metabolite. Its functional parent is glycine. It is also related to or classified as hydroxy-amino acid.
The molecule <smiles>C(\CCC=C(C)C)(=C/OC=O)/C</smiles> is A formate ester resulting from the formal condensation of the E-enol tautomer of 2,6-dimethylhept-5-enal with formic acid. It is also related to or classified as formate ester, olefinic compound.
The molecule <smiles>[Mn++].[O-]S([O-])(=O)=O</smiles> is A metal sulfate in which the metal component is manganese in the +2 oxidation state. It has the role of nutraceutical. It is also related to or classified as manganese molecular entity, metal sulfate.
The molecule <smiles>[C@H]([C@H](C[C@H](/C=C/CCCCCC[C@@H](CCCCCC)O)OC(=O)C)O)(C(=O)[O-])[NH3+]</smiles> is major microspecies 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 alpha-amino-acid zwitterion .
The molecule <smiles>C12=CC=CC=C1OC(CC2=O)C=3C=CC(=CC3)OC</smiles> is the parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position. It is also related to or classified as 4'-methoxyflavanones .
The molecule <smiles>CCC1(C(=O)NC(=O)NC1=O)CC</smiles> is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.
The molecule <smiles>C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O</smiles> is an amino oligosaccharide that is a tetradecasaccharide derivative in which two N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl branched pentasaccharide units are linked (1->3) and (1->6) to the mannose residue of a beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-D-glucosamine branched tetrasaccharide. It is also related to or classified as galactosamine oligosaccharide, glucosamine oligosaccharide, amino oligosaccharide.
The molecule <smiles>C[C@@H](O)C(=O)SC[C@H](NC(=O)CC[C@H]([NH3+])C([O-])=O)C(=O)NCC([O-])=O</smiles> is conjugate base of (R)-S-lactoylglutathione. It has the role of Saccharomyces cerevisiae metabolite. It has the role of human metabolite. It is also related to or classified as dicarboxylic acid anion.
The molecule <smiles>O.O.O.O.O.[Mn+2].S([O-])([O-])(=O)=O</smiles> is A hydrate that is the pentahydrate form of manganese(II) sulfate. It has the role of nutraceutical. It is also related to or classified as manganese molecular entity, hydrate, metal sulfate.
The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C(O)=O)CCC(=O)N)=C\CCCCCCCC</smiles> is an L-glutamine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-glutamine. Its functional parent is oleic acid. It is a conjugate acid of N-oleoyl-L-glutaminate. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid . It is also related to or classified as L-glutamine derivative.
The molecule <smiles>[Li+].CC(=O)[O-]</smiles> is an acetate salt comprising equal numbers of acetate and lithium ions. It is an organic lithium salt and an acetate salt. It contains an acetate.
The molecule <smiles>c1ccc2cc3ccccc3cc2c1</smiles> is an ortho-fused tricyclic hydrocarbon comprising three fused benzene rings. It is also related to or classified as acene . It is also related to or classified as ortho-fused tricyclic hydrocarbon, anthracenes.
The molecule <smiles>C(=CCCOC(=O)C)(C)C</smiles> is an acetate ester resulting from the formal condensation of the hydroxy group of 4-methylpent-3-en-1-ol with acetic acid. Its functional parent is 4-methylpent-3-en-1-ol. It is also related to or classified as acetate ester . It is also related to or classified as olefinic compound.
The molecule <smiles>P(=O)([O-])([O-])O.[K+].[K+]</smiles> is A potassium salt that is the dipotassium salt of phosphoric acid. It has the role of buffer. It is also related to or classified as inorganic phosphate, potassium salt.
The molecule <smiles>O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=C(OC)C(O)=C3C(OC(=C(OC)C3=O)C4=CC=C(O)C=C4)=C2)CC</smiles> is 6-Hydroxykaempferol 3,6-dimethyl ether 7-glucoside. It is also related to or classified as glycoside . It is also related to or classified as flavonoids.
The molecule <smiles>[H]C(=O)CC(C)CCC=C(C)C</smiles> is A monoterpenoid, the main component of citronella oil which gives it its distinctive lemon aroma. It has the role of metabolite. It has the role of antifungal agent. It is also related to or classified as aldehyde . It is also related to or classified as monoterpenoid.
The molecule <smiles>C12=CC=CC=C1OC(=CC2=O)C=3C=CC=C(C3)OC</smiles> is the parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position. It has the role of plant metabolite. It is also related to or classified as 3'-methoxyflavones .
The molecule <smiles>[13CH3]N1C=NC2=C1C(=O)N([13CH3])C(=O)N2[13CH3]</smiles> is A (13)C-modified compound that is caffeine in which the carbon atoms of the three methyl groups at positions 1, 3 and 7 are replaced by (13)C isotopes. It is also related to or classified as (13)C-modified compound, oxopurine.
The molecule <smiles>CC1=CC(=C(C2=C1C(=CC(=O)O2)OC)C3=C(C=C(C4=C3OC(=O)C=C4OC)C)OC)OC</smiles> is a member of the class of 8,8'-bicoumarins resulting from the formal oxidative dimerisation of 4,7-dimethoxy-5-methyl-2H-chromen-2-one (the S-(+) enantiomer). A fungal metabolite, its isolation from Aspergillus clavatus was first reported in 1971. It has a role as a metabolite. It derives from an orlandin.
The molecule <smiles>O=C1C2=C(O)C=C(OC)C=C2[C@@H]3O[C@]4(C[C@@H]3[C@@H]1CO4)C</smiles> is Ulosporin F. It is also related to or classified as organic heterotricyclic compound, organooxygen compound.
The molecule <smiles>C1=2N3C(C=C4[N+]5=C(C=C6N7C8=C(C9=[N+](C(=C1)[C@H]([C@@H]9CCC(OC/C=C(/CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)\C)=O)C)[Mg-2]735)[C@@H](C(C8=C6C)=O)C(=O)OC)C(=C4C)C=C)=C(C2C)C=C</smiles> is divinylchlorophyll a' is the C13(2)-epimer of divinylchlorophyll a. It is also related to or classified as chlorophyll .
The molecule <smiles>O=C1N2[C@@](CCC2)(C(=O)N[C@H]1C)[H]</smiles> is cis-Cyclo[L-Ala-L-Pro]. Its functional parent is alpha-amino acid. It is also related to or classified as organonitrogen compound, organooxygen compound.
The molecule <smiles>O[C@@H]1Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(O)cc1</smiles> is A hydroxyisoflavanones that is isoflavanone bearing hydroxy groups at the 2, 7 and 4' positions, with R and S configurations at C-2 and C-3 respectively. It is also related to or classified as hydroxyisoflavanone.
The molecule <smiles>C(\CCCCCCCC(=O)N[C@H](C(O)=O)CO)=C\CCCCCCCC</smiles> is an L-serine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-serine. It has the role of bone density conservation agent. It has the role of mouse metabolite. Its functional parent is oleic acid. It is a conjugate acid of N-oleoyl-L-serinate. It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid . It is also related to or classified as L-serine derivative.
The molecule <smiles>O[13C]=1[13CH]=[13C]([13CH]=[13CH][13C]1O)/[13CH]=[13CH]/[13C](O)=O</smiles> is Caffeic Acid-13C9. It is also related to or classified as (13)C-modified compound, hydroxycinnamic acid.
The molecule <smiles>OC[C@H]1O[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O</smiles> is A hexose phosphate that is alpha-D-mannose phosphorylated on O-2 and O-4. It is also related to or classified as hexose phosphate.
The molecule <smiles>CC1=CCCC([C@@]12CC3=C4C2=C(C=C(C4=C(C5=C3[C@@H]([C@]6(CC(=O)C(=C([C@]6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C</smiles> is a tetracycline-like polyketide antibiotic that is produced by several species of Penicillium and Aspergillus. It has a role as an antimicrobial agent, a fungal metabolite, an EC 2.5.1.31 {ditrans,polycis-undecaprenyl-diphosphate synthase [(2E,6E)-farnesyl-diphosphate specific]} inhibitor and an antineoplastic agent. It is an organic polycyclic compound, a polyketide, an enone, an enamide, an enol, a spiro compound, an aromatic ether, a polyphenol, an aromatic ketone, a cyclic ketone, a tertiary alcohol, a secondary alcohol, a tertiary alpha-hydroxy ketone and a primary carboxamide.
The molecule <smiles>[H][As+]([H])([H])[H]</smiles> is arsonium. It is a conjugate acid of arsane. It is also related to or classified as arsenic hydride, onium cation, arsonium ion.
The molecule <smiles>CCN1C(=O)CC(SC[C@H](N)C(O)=O)C1=O</smiles> is an L-cysteine derivative that results when maleimide reacts with the thiol group of L-cysteine forming a thioether bond. It is also related to or classified as organic sulfide . It is also related to or classified as maleimides, L-cysteine derivative.
The molecule <smiles>O=[13C]([13CH2][13CH2]C(O)=O)[13C](O)=O</smiles> is alpha-ketoglutaric acid-13C4. It is a conjugate acid of alpha-ketoglutarate-13C4. It is also related to or classified as (13)C-modified compound, dicarboxylic acid.
The molecule <smiles>C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(N[C@H](C(=O)O)CC1=CC=CC=C1)=O</smiles> is an N-acyl-L-phenylalanine resulting from the formal condensation of the carboxy group of arachidonic acid with the amino group of L-phenylalanine. Its functional parent is arachidonic acid. It is a conjugate acid of N-arachidonoyl-L-phenylalaninate.  It is also related to or classified as N-acyl-L-phenylalanine . It is also related to or classified as fatty amide.
The molecule <smiles>CCCCC\C=C/C[C@H](OO)\C=C\CCCCCCC([O-])=O</smiles> is an unsaturated fatty acid anion that is the conjugate base of (8E,10S,12Z)-10-hydroperoxyoctadeca-8,12-dienoic acid, obtained by deprotonation of the carboxy group. It is also related to or classified as HPODE(1-).
The molecule <smiles>CCCCCC/C=C\\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C</smiles> is an O-acylcarnitine having palmitoleoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, an ammonium betaine and a carboxylic ester. It derives from a carnitine.
The molecule <smiles>CCCCCCCC(=O)OCC</smiles> is A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol. It has the role of metabolite. It is also related to or classified as fatty acid ethyl ester . It is also related to or classified as octanoate ester .