mingxuzhang/ChEBI-Augmented huggingface dataset:
The molecule <smiles>C[C@@H](OP(O)(O)=O)[C@H](NC(=O)CCCCCCS)C(O)=O</smiles> is coenzyme B. It has the role of coenzyme. It is a conjugate acid of coenzyme B(3-). It is also related to or classified as L-threonine derivative.
The molecule <smiles>C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=C(C=C3)OC)[C@H](C)CO)C)CNC</smiles> is 1-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(4-methoxyphenyl)urea. It is also related to or classified as lactam . It is also related to or classified as azamacrocycle.
The molecule <smiles>C/C=C(\\C)/C1=CC(=C(C(=O)O1)C)OC</smiles> is a member of the class of nectriapyrones that is pyran-2-one which is substituted at positions 3, 4, and 6 by methyl, methoxy, and but-2-en-2-yl groups, respectively in which the butenyl substituent has E configuration. A fungal metabolite that has been induced in the rice blast fungus Pyricularia oryzae by overexpression of a polyketide synthase gene (NEC1) and an O-methyltransferase gene (NEC2). It has a role as a fungal metabolite. It derives from a desmethylnectriapyrone.
The molecule <smiles>C1(C2=C(O[C@@H](C1)C3=C(C=C(C=C3)O)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O</smiles> is A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity. It has the role of metabolite. It has the role of antibacterial agent. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as tetrahydroxyflavanone.
The molecule <smiles>CC1=CCC2C3C1C2(C)CCCC3(C)C</smiles> is A bridged compound and sesquiterpene that is tricyclo[5.4.0.0(2,8)]undecane that is substituted by methyl groups at the 2, 6, 6, and 9 positions and has a double bond between positions 9 and 10. It is also related to or classified as sesquiterpene . It is also related to or classified as polycyclic olefin, bridged compound.
The molecule <smiles>CCCCCCCC/C=C\\CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O</smiles> is an acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (17Z)-hexacosenoyl-CoA It is a conjugate base of a (17Z)-hexacosenoyl-CoA.
The molecule <smiles>C1=C[C@H]([C@@H](C(=C1)C(=O)O)N)O</smiles> is a 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have R-configuration. It is an enantiomer of a (2S,3S)-2,3-dihydro-3-hydroxyanthranilic acid. It is a tautomer of a (2R,3R)-2,3-dihydro-3-hydroxyanthranilic acid zwitterion.
The molecule <smiles>C1(C2=C(O[C@@H](C1)C3=CC=C(C=C3)O)C(=C(C=C2O)O)C[C@@H](CCC(=C)C)C(=C)C)=O</smiles> is A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7 and 4' and a lavandulyl group at position 8. Isolated from Physena madagascariensis, it exhibits antibacterial activity. It has the role of metabolite. It has the role of antibacterial agent. It is also related to or classified as 4'-hydroxyflavanones . It is also related to or classified as trihydroxyflavanone.
The molecule <smiles>[H][C@@]12CC=C(C)[C@@]3([H])[C@]1([H])C(C)(C)CCC[C@@]23C</smiles> is the (1R,2S,7R,8R)-enantiomer of alpha-longipinene. It has the role of metabolite. It is also related to or classified as alpha-longipinene .
The molecule <smiles>CCC(CO)C1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1</smiles> is 5-(1-hydroxybutan-2-yl)isolongifol-5-ene. It has the role of fragrance. It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O</smiles> is an acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of heptadecanoyl-CoA. It is a saturated fatty acyl-CoA(4-) and a long-chain fatty acyl-CoA(4-). It is a conjugate base of a heptadecanoyl-CoA.
The molecule <smiles>[H][C@@]12C[C@H](C)[C@@H]3OC(=O)\C=C\C=C/[C@H](OC(=O)c4ccccc4)C4CCC(CC4)C[C@@](C)(O)[C@]4(O)[C@H]5O[C@]6(O[C@@H]4[C@]([H])([C@@H]4O[C@]4(CO)[C@@H](O)[C@@]13O)[C@]2(O6)[C@@H]5C)c1ccccc1</smiles> is A diterpenoid of the class of daphnane-type terpenes. Isolated from Trigonostemon reidioides, it exhibits cytotoxicity against various cancer cell lines. It has the role of metabolite. It has the role of antineoplastic agent. It is also related to or classified as diterpenoid . It is also related to or classified as epoxide .   It is also related to or classified as ortho ester . It is also related to or classified as benzoate ester, terpene lactone.
The molecule <smiles>[H][C@]12CC=C(C)[C@]3([H])[C@@]1([H])C(C)(C)CCC[C@]23C</smiles> is the (1S,2R,7S,8S)-enantiomer of alpha-longipinene. It has the role of metabolite. It is also related to or classified as alpha-longipinene .
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC=O</smiles> is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as hexadecanoyl and 7-oxoheptanoyl respectively. It has a role as a Papio hamadryas metabolite. It is a 1,2-diacyl-sn-glycero-3-phosphocholine and an aldehyde. It derives from a 7-oxoheptanoic acid and a hexadecanoic acid.
The molecule <smiles>CC[C@H](C)[C@H](C(=O)[O-])[NH3+]</smiles> is a D-alpha-amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of D-alloisoleucine; major species at pH 7.3. It is an enantiomer of a L-alloisoleucine zwitterion. It is a tautomer of a D-alloisoleucine.
The molecule <smiles>[H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@H](CC[C@@]6([H])[C@@]3(O5)[C@@H]4C)OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)c1ccccc1)[C@@H]2C</smiles> is A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity. It has the role of insecticide. It has the role of metabolite. It is also related to or classified as diterpenoid . It is also related to or classified as epoxide .   It is also related to or classified as ortho ester . It is also related to or classified as benzoate ester, terpene lactone.
The molecule <smiles>OC(=O)OON=O</smiles> is A carbon oxoacid that is carbonic acid in which one of the hydrogens is replaced by a nitrosoxy group. At physiological pH, nitrosoperoxycarbonic acid is highly unstable, rapidly decomposing to give CO2, NO2, and hydroxyl radicals. It is a conjugate acid of nitrosoperoxycarbonate(1-). It is also related to or classified as organic peroxide, carbon oxoacid, nitroso compound.
The molecule <smiles>CN(C)c1ccc(N)cc1</smiles> is N,N-dimethyl-1,4-phenylenediamine. It is also related to or classified as diamine . It is also related to or classified as substituted aniline.
The molecule <smiles>C[C@@H](NCC(O)=O)C(O)=O</smiles> is A derivative of D-alanine having a carboxymethyl substituent on the alpha-nitrogen. It is a conjugate acid of N-(carboxylatomethyl)-D-alanine. It is also related to or classified as D-alanine derivative.
The molecule <smiles>CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](OC1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O</smiles> is an amino disaccharide consisting of beta-D-glucose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine. It is an amino sugar, an amino disaccharide, a glucosamine oligosaccharide and a member of acetamides.
The molecule <smiles>[H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@H](CC[C@@]6([H])[C@@]3(O5)[C@@H]4C)OC(=O)\C=C\C=C/[C@H]1OC(=O)CC(C)C)c1ccccc1)[C@@H]2C</smiles> is A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity. It has the role of insecticide. It has the role of metabolite. It is also related to or classified as diterpenoid . It is also related to or classified as epoxide .  It is also related to or classified as ortho ester . It is also related to or classified as terpene lactone.
The molecule <smiles>CCOCn1c(SC2CCCCC2)c(C(C)C)c(=O)[nH]c1=O</smiles> is A pyrimidone that is uracil in which positions 1, 5, and 6 are substituted by ethoxymethyl, isopropyl, and cyclohexylsulfanyl groups, respectively. Its functional parent is uracil. It is also related to or classified as aliphatic sulfide, pyrimidone.
The molecule <smiles>C([C@@H](C(=O)O)O)C(=O)O</smiles> is an optically active form of malic acid having (S)-configuration. It is a conjugate acid of a (S)-malate(2-). It is an enantiomer of a (R)-malic acid.
The molecule <smiles>[H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C</smiles> is A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon thyrsoideum and has been shown to exhibit acaricidal activity. It has the role of acaricide. It has the role of metabolite. It is also related to or classified as diterpenoid . It is also related to or classified as epoxide .   It is also related to or classified as ortho ester . It is also related to or classified as benzoate ester, terpene lactone.
The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C=C(C)C</smiles> is an apo carotenoid triterpenoid that is tetracosane which is substituted by methyl groups at positions 2, 6, 10, 15, 19, and 23, and contains double bonds at the 2-3 and 22-23 positions, and E-double bonds at the 4-5, 6-7, 8-9, 10-11, 12-13, 14-15, 16-17, and 18-19 positions. It is a yellow carotenoid pigment of Staphylococcus aureus. It is also related to or classified as triterpene . It is also related to or classified as apo carotenoid triterpenoid, polyene.
The molecule <smiles>COCCC1=C2C(C)(C)[C@H]3CC[C@@]2(C3)C(C)(C)CC1</smiles> is 5-(2-methoxyethyl)isolongifol-5-ene. It has the role of fragrance. It is also related to or classified as isolongifolane sesquiterpenoid.
The molecule <smiles>CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C</smiles> is an iminium ion that forms the cationic portion of the histological dye 'ethyl green'. It is an iminium ion and a quaternary ammonium ion.
The molecule <smiles>[H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)CC(C)C)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C</smiles> is A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon reidioides and has been shown to exhibit insecticidal activity. It has the role of insecticide. It has the role of metabolite. It is also related to or classified as diterpenoid . It is also related to or classified as epoxide .  It is also related to or classified as ortho ester . It is also related to or classified as terpene lactone.
The molecule <smiles>CC(C)=CCC\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C</smiles> is A 4,4'-diapo-zeta-carotene in which the double bonds at positions 6, 8, 10, 12, 14, 16, and 18 have E- (trans-) geometry. It is also related to or classified as 4,4'-diapo-zeta-carotene .
The molecule <smiles>COC1=CC(=CC(=C1[O-])OC)C(=O)O</smiles> is a methoxybenzoate that is the conjugate base of syringic acid, obtained by deprotonation of the carboxy group. It is a methoxybenzoate and a hydroxybenzoate. It is a conjugate base of a syringic acid.
The molecule <smiles>CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H](C3=CC=C2C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)C</smiles> is a ergosteryl ester obtained by formal condensation of the 3-hydroxy group of ergosterol with the carboxy group of hexadecanoic (palmitic) acid. A natural product found in Chaetomium globosum and Chaetomium longirostre. It has a role as a metabolite.
The molecule <smiles>C\C=C\C=C\C=C(C)\C=C\C(O)=C1/C(=O)CNC1=O</smiles> is A member of the class of pyrrolidin-2-ones that is pyrrolidine-2,4-dione substituted at position 3 by a deca-2,4,6,8-tetraen-1-ylidene group which in turn is substituted by a hydroxy and methyl substituents at positions 1 and 4 respectively. It is an antibiotic isolated from Penicillium sp. It has the role of antibacterial agent. It has the role of Penicillium metabolite.  It is also related to or classified as enol . It is also related to or classified as pyrrolidin-2-ones . It is also related to or classified as polyene antibiotic.
The molecule <smiles>[H]C(=CC=C(C)C([H])=CC=C(C)CCC=C(C)C)C=C(C)C=C([H])C=C(C)CCC=C(C)C</smiles> is an apo carotenoid triterpenoid that is tetracosane containing double bonds at the 2-3, 6-7, 8-9, 10-11, 12-13, 14-15, 16-17, 18-19, and 22-23 positions, and substituted by methyl groups at positions 2, 6, 10, 15, 19, and 23. It is also related to or classified as triterpene . It is also related to or classified as apo carotenoid triterpenoid, polyene.
The molecule <smiles>CN(C)(=O)c1ccccc1</smiles> is A member of the class of dimethylanilines that is N,N-dimethylaniline in which the tertiary amino group has been oxidised to give the corresponding N-oxide. Its functional parent is N,N-dimethylaniline. It is also related to or classified as tertiary amine oxide . It is also related to or classified as dimethylaniline.
The molecule <smiles>S(O)(=O)(=O)CCNC(=O)CC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C([C@H](O)C(C4)([2H])[2H])([2H])[2H])[H])C)(CC2)[H])[H])(CC1)[H])C)[H])C</smiles> is taurochenodeoxycholic acid-2,2,4,4-d4. It is also related to or classified as taurochenodeoxycholic acid . It is also related to or classified as deuterated compound.
The molecule <smiles>C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)C3=CC=C(C=C3)O</smiles> is a imidazolidine-2,4-dione that consists of hydantoin bearing phenyl and 4-hydroxyphenyl substituents at position 5. It has a role as a metabolite. It is an imidazolidine-2,4-dione and a member of phenols. It derives from a hydantoin.
The molecule <smiles>[H][C@]1(OC[C@H](O)[C@H](O)[C@H]1O)O[C@H]1CO[C@@]([H])(O[C@H]2[C@H](O)CO[C@@]([H])(O[C@H]3[C@H](C)O[C@@]([H])(O[C@@H]4[C@@H](O)[C@@H](O)[C@@H](C)O[C@H]4OC(=O)[C@]45CCC(C)(C)C[C@@]4([H])C4=CC[C@]6([H])[C@@]7(C)CC[C@H](O)[C@@](C)(C=O)[C@]7([H])CC[C@@]6(C)[C@]4(C)C[C@H]5O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O</smiles> is A triterpenoid saponin that is the pentasaccharide derivative of quillaic acid. Isolated from the roots of Gypsophila oldhamiana, it exhibits immunomodulatory activity. It has the role of immunomodulator. It has the role of plant metabolite. Its functional parent is quillaic acid. It is also related to or classified as aldehyde .  It is also related to or classified as carboxylic ester . It is also related to or classified as pentacyclic triterpenoid, triterpenoid saponin, pentasaccharide derivative.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C</smiles> is A 4,4'-diapophytofluene in which the double bonds at positions 6, 8, 10, 12, 14, and 18 have E- (trans-) geometry. It is also related to or classified as 4,4'-diapophytofluene .
The molecule <smiles>CC1=CC(=O)C(CC(O)=O)C1(C)C</smiles> is A 4-oxo monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl group. Its functional parent is acetic acid. It is a conjugate acid of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate. It is also related to or classified as 4-oxo monocarboxylic acid, cyclic ketone.
The molecule <smiles>C[C@@H]1C[C@H]2CC(=O)O[C@@]3(C1)[C@@]24CCCN3CCCC4=O</smiles> is an alkaloid isolated from the club moss Lycopodium japonicum and has been shown to exhibit acetylcholinesterase inhibitory and anti-HIV-1 activity. It has a role as a metabolite, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an anti-HIV-1 agent. It is an alkaloid, a lactone, a cyclic ketone, a bridged compound and an organic heterotetracyclic compound.
The molecule <smiles>COc1c2ccoc2nc2cc3OCOc3cc12</smiles> is Maculine. It is also related to or classified as organic heterotricyclic compound, organonitrogen heterocyclic compound, oxacycle.
The molecule <smiles>[H]C(=CC=C(C)CCC=C(C)CCC=C(C)C)C=C(C)C=C([H])C=C(C)CCC=C(C)C</smiles> is an apo carotenoid triterpenoid that is tetracosane containing double bonds at the 2-3, 6-7, 8-9, 10-11, 12-13, 14-15, 18-19, and 22-23 positions, and substituted by methyl groups at positions 2, 6, 10, 15, 19, and 23. It is also related to or classified as triterpene . It is also related to or classified as apo carotenoid triterpenoid, polyene.
The molecule <smiles>CN(C)c1ccccc1</smiles> is A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups.  It is also related to or classified as tertiary amine . It is also related to or classified as dimethylaniline.
The molecule <smiles>CC(C)C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)O</smiles> is a hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxy-4-methylpentanoic acid. It is a hydroxy fatty acyl-CoA, a short-chain fatty acyl-CoA and a methyl-branched fatty acyl-CoA. It derives from a (R)-2-hydroxy-4-methylpentanoic acid. It is a conjugate acid of a (R)-2-hydroxy-4-methylpentanoyl-CoA(4-).
The molecule <smiles>C[C@@H]1O[C@@H](Oc2ccc(cc2O)-c2oc3cc(O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O</smiles> is A quercetin O-glycoside that consists of quercetin  attached to a alpha-L-rhamnopyranosyl moiety at position 4' and a beta-D-allopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Acacia pennata, it exhibits inhibitory activity against cyclooxygenase 1 and 2. It has the role of metabolite. It has the role of cyclooxygenase 2 inhibitor. It has the role of cyclooxygenase 1 inhibitor. Its functional parent is beta-D-allose. It is also related to or classified as alpha-L-rhamnoside . It is also related to or classified as quercetin O-glycoside.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C/C=C(\C)CC\C=C(/C)CCC=C(C)C</smiles> is A 4,4'-diapophytoene in which the double bond at position 15 has Z- (cis-) geometry, while those at positions 9, 13, 9' and 13' have E- (trans-) geometry. It is also related to or classified as 4,4'-diapophytoene .
The molecule <smiles>CC(C)OC(=O)C1=CC=CC=C1C(=O)O</smiles> is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol. It has a role as an anti-estrogen and a human xenobiotic metabolite. It is a phthalic acid monoester and an isopropyl ester. It derives from a propan-2-ol.
The molecule <smiles>C[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)[C@@H]1CC([C@H](C2)O)(C)C)C</smiles> is a pentacyclic triterpenoid that is olean-12-ene substituted by an oxo substituent at position 3 and a beta-hydroxy group at position 21. Isolated from the root barks of Hippocratea excelsa, it exhibits antigiardial activity. It has a role as a metabolite and an antiprotozoal drug. It is a pentacyclic triterpenoid, a secondary alcohol and a cyclic ketone. It derives from a hydride of an oleanane.
The molecule <smiles>[H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c(O)c1</smiles> is A  quercetin O-glycoside that consists of quercetin substituted by a beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. It is also related to or classified as disaccharide derivative, quercetin O-glycoside.
The molecule <smiles>CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C\C=C(/C)CC\C=C(/C)CCC=C(C)C</smiles> is A 4,4'-diapophytoene in which the double bonds at positions 6, 10, 12, 14, and 18 have E- (trans-) geometry. It is also related to or classified as 4,4'-diapophytoene .
The molecule <smiles>CC(=O)N[C@@H](CCC(=O)OP(O)(O)=O)C(O)=O</smiles> is N-acetyl-L-gamma-glutamyl phosphate. It has the role of Escherichia coli metabolite. Its functional parent is L-gamma-glutamyl phosphate. It is a conjugate acid of N-acetyl-L-gamma-glutamyl phosphate(3-). It is also related to or classified as L-glutamic acid derivative.
The molecule <smiles>CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H](CO)[C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(=O)O)O[C@H](CO)[C@H]([C@H]3[C@@H]([C@H](CC(O3)(C(=O)O)O)O)NC(=O)C)O)O)NC(=O)C)O)O</smiles> is an amino trisaccharide comprising two alpha-sialyl residues joined by a (2->8)-linkage and attached in turn by a (2->8)-linkage to a third sialyl residue of unspecified anomeric configuration.
The molecule <smiles>OC[C@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O</smiles> is A quercetin O-glycoside that consists of quercetin attached to a (2'',3''-digalloyl)-beta-D-galactopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Euphorbia lunulata, it exhibits insulin-like activity. It has the role of plant metabolite. It is also related to or classified as beta-D-galactoside . It is also related to or classified as gallate ester, quercetin O-glycoside.
The molecule <smiles>[H]C(=CC=C(C)CCC=C(C)CCC=C(C)C)C=C(C)CCC=C(C)CCC=C(C)C</smiles> is an apo carotenoid triterpenoid that is tetracosane containing double bonds at the 2-3, 6-7, 10-11, 12-13, 14-15, 18-19, and 22-23 positions, and substituted by methyl groups at positions 2, 6, 10, 15, 19, and 23. It is also related to or classified as triterpene . It is also related to or classified as apo carotenoid triterpenoid, polyene.
The molecule <smiles>CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)O</smiles> is an N-acylserotonin obtained by formal condensation of the carboxy group of stearic acid with the primary amino group of serotonin. It has been found in the jejunum and ileum of pigs and mice. It derives from an octadecanoic acid.
The molecule <smiles>[H][C@]1(O[C@H](COC(=O)\C=C\c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1[C@@H](O[C@@H](C)[C@H](O)[C@H]1O)Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)c(O)c1</smiles> is A quercetin O-glucoside that consists of quercetin attached to a beta-D-glucopyranosyl moiety at position 7 and a alpha-L-6'''-p-coumaroyl-beta-D-glucopyranosyl-(1->2)-rhamnopyranosyl residue at position 3 via a glycosidic linkage. Isolated from the leaves of Ginkgo biloba, it exhibits antioxidant activity. It has the role of antioxidant. It has the role of metabolite. Its functional parent is trans-4-coumaric acid. It is also related to or classified as cinnamate ester, quercetin O-glucoside.
The molecule <smiles>[H][C@]1(CC[C@]2(C)CC[C@]3(C)[C@]([H])(CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)[C@@]12[H])C(C)(C)O</smiles> is A pentacyclic triterpenoid that is lupane in which the hydrogens at the 3beta and 20 positions are substituted by hydroxy groups.  It is also related to or classified as tertiary alcohol . It is also related to or classified as secondary alcohol . It is also related to or classified as pentacyclic triterpenoid.
The molecule <smiles>C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)O</smiles> is an amidobenzoic acid comprising benzoic acid having a benzamido group at the 2-position. It derives from an anthranilic acid. It is a conjugate acid of a N-benzoylanthranilate.