1.0 2010-04-08 22:12:29 UTC 2025-11-19 01:47:37 UTC FDB016517 Chrysoeriol 7-(6''-malonylglucoside) Isolated from Petroselinum hortense (parsley). Chrysoeriol 7-(6''-malonylglucoside) is found in many foods, some of which are herbs and spices, celery leaves, wild celery, and parsley. Chrysoeriol 7-(6''-malonylglucoside) Chrysoeriol 7-O-(6''-malonyl-glucoside) Luteolin 3'-methyl ether 7-malonylglucoside C25H24O14 548.4497 548.116605476 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid 491-71-4 COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O InChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1 PLQBKZOSLQNLOX-GOZZSVHWSA-N belongs to the class of organic compounds known as 8-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C8 atom of the flavonoid backbone. 8-O-methylated flavonoids Organic compounds Phenylpropanoids and polyketides Flavonoids O-methylated flavonoids Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 4'-O-methylated flavonoids 5-hydroxyflavonoids 7-O-methylated flavonoids Alkyl aryl ethers Anisoles Chromones Flavones Heteroaromatic compounds Hydrocarbon derivatives Methoxybenzenes Organic oxides Oxacyclic compounds Phenoxy compounds Pyranones and derivatives Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 4p-methoxyflavonoid-skeleton 5-hydroxyflavonoid 7-methoxyflavonoid-skeleton 8-methoxyflavonoid-skeleton Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Benzenoid Benzopyran Chromone Ether Flavone Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenol ether Phenoxy compound Pyran Pyranone Vinylogous acid Flavones and Flavonols logp 1.28 ALOGPS logs -3.19 ALOGPS solubility 3.54e-01 g/l ALOGPS logp 0.61 ChemAxon pka_strongest_acidic 3.37 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid ChemAxon average_mass 548.4497 ChemAxon mono_mass 548.116605476 ChemAxon smiles COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O1)C=C(O[C@@H]1O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C=C2O ChemAxon formula C25H24O14 ChemAxon inchi InChI=1S/C25H24O14/c1-35-16-4-10(2-3-12(16)26)15-7-14(28)21-13(27)5-11(6-17(21)38-15)37-25-24(34)23(33)22(32)18(39-25)9-36-20(31)8-19(29)30/h2-7,18,22-27,32-34H,8-9H2,1H3,(H,29,30)/t18-,22-,23+,24-,25-/m1/s1 ChemAxon inchikey PLQBKZOSLQNLOX-GOZZSVHWSA-N ChemAxon polar_surface_area 218.74 ChemAxon refractivity 127.02 ChemAxon polarizability 52.32 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 13 ChemAxon donor_count 6 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21000 Specdb::CMs 45400 Specdb::CMs 281644 Specdb::CMs 307907 Specdb::CMs 307908 Specdb::CMs 307909 Specdb::CMs 307910 Specdb::CMs 307911 Specdb::CMs 307912 Specdb::CMs 307913 Specdb::CMs 307914 Specdb::CMs 307915 Specdb::CMs 307916 Specdb::CMs 307917 Specdb::CMs 307918 Specdb::CMs 307919 Specdb::CMs 307920 Specdb::CMs 307921 Specdb::CMs 307922 Specdb::CMs 307923 Specdb::CMs 307924 Specdb::CMs 307925 Specdb::CMs 307926 Specdb::CMs 307927 Specdb::CMs 307928 Specdb::MsMs 56655 Specdb::MsMs 56656 Specdb::MsMs 56657 Specdb::MsMs 112140 Specdb::MsMs 112141 Specdb::MsMs 112142 Specdb::MsMs 2279674 Specdb::MsMs 2279675 Specdb::MsMs 2279676 Specdb::MsMs 3088807 Specdb::MsMs 3088808 Specdb::MsMs 3088809 HMDB37455 #<Reference:0x000055ce319be268> Celery leaves Type 1 specific Apium graveolens var. secalinum 941588 0.0 0.0 0.0 mg/100 g Herbs and Spices Unknown generic Parsley Type 1 specific Petroselinum crispum 4043 Wild celery Type 1 specific Apium graveolens 4045 0.0 0.0 0.0 mg/100 g