1.0 2010-04-08 22:11:06 UTC 2025-11-19 00:44:11 UTC FDB014149 6''-Acetylapiin Constituent of parsley. 6''-Acetylapiin is found in herbs and spices. 6''-Acetylapiin C28H30O15 606.5288 606.15847029 (5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate (5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methyl acetate CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O InChI=1S/C28H30O15/c1-12(30)38-9-20-22(34)23(35)24(43-27-25(36)28(37,10-29)11-39-27)26(42-20)40-15-6-16(32)21-17(33)8-18(41-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-37H,9-11H2,1H3 IJUKPRHUCJJFTO-UHFFFAOYSA-N belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Flavonoid-7-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 4'-hydroxyflavonoids 5-hydroxyflavonoids Acetals Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Chromones Disaccharides Flavones Heteroaromatic compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Phenolic glycosides Primary alcohols Pyranones and derivatives Secondary alcohols Tertiary alcohols Tetrahydrofurans Vinylogous acids 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 4'-hydroxyflavonoid 5-hydroxyflavonoid Acetal Alcohol Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromone Disaccharide Flavone Flavonoid-7-o-glycoside Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxyflavonoid Monocarboxylic acid or derivatives Monocyclic benzene moiety O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Phenolic glycoside Primary alcohol Pyran Pyranone Secondary alcohol Tertiary alcohol Tetrahydrofuran Vinylogous acid logp 0.54 ALOGPS logs -2.87 ALOGPS solubility 8.23e-01 g/l ALOGPS logp -0.4 ChemAxon pka_strongest_acidic 8.31 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (5-{[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methyl acetate ChemAxon average_mass 606.5288 ChemAxon mono_mass 606.15847029 ChemAxon smiles CC(=O)OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C2=CC=C(O)C=C2)C(OC2OCC(O)(CO)C2O)C(O)C1O ChemAxon formula C28H30O15 ChemAxon inchi InChI=1S/C28H30O15/c1-12(30)38-9-20-22(34)23(35)24(43-27-25(36)28(37,10-29)11-39-27)26(42-20)40-15-6-16(32)21-17(33)8-18(41-19(21)7-15)13-2-4-14(31)5-3-13/h2-8,20,22-27,29,31-32,34-37H,9-11H2,1H3 ChemAxon inchikey IJUKPRHUCJJFTO-UHFFFAOYSA-N ChemAxon polar_surface_area 231.13 ChemAxon refractivity 140.88 ChemAxon polarizability 59.38 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 14 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 76146 Specdb::MsMs 76147 Specdb::MsMs 76148 Specdb::MsMs 135918 Specdb::MsMs 135919 Specdb::MsMs 135920 Specdb::MsMs 2264293 Specdb::MsMs 2264294 Specdb::MsMs 2264295 Specdb::MsMs 3075165 Specdb::MsMs 3075166 Specdb::MsMs 3075167 Specdb::CMs 26394 Specdb::CMs 44398 Specdb::CMs 479595 Specdb::CMs 479596 Specdb::CMs 479597 Specdb::CMs 479598 Specdb::CMs 479599 Specdb::CMs 479600 Specdb::CMs 479601 Specdb::CMs 479602 Specdb::CMs 479603 Specdb::CMs 479604 Specdb::CMs 479605 Specdb::CMs 479606 Specdb::CMs 479607 Specdb::CMs 479608 Specdb::CMs 479609 Specdb::CMs 479610 Specdb::CMs 479611 Specdb::CMs 479612 Specdb::CMs 479613 Specdb::CMs 479614 Specdb::CMs 479615 Specdb::CMs 479616 Specdb::CMs 479617 Specdb::NmrOneD 131718 Specdb::NmrOneD 131719 Specdb::NmrOneD 131720 Specdb::NmrOneD 131721 Specdb::NmrOneD 131722 Specdb::NmrOneD 131723 Specdb::NmrOneD 131724 Specdb::NmrOneD 131725 Specdb::NmrOneD 131726 Specdb::NmrOneD 131727 Specdb::NmrOneD 131728 Specdb::NmrOneD 131729 Specdb::NmrOneD 131730 Specdb::NmrOneD 131731 Specdb::NmrOneD 131732 Specdb::NmrOneD 131733 Specdb::NmrOneD 131734 Specdb::NmrOneD 131735 Specdb::NmrOneD 131736 Specdb::NmrOneD 131737 HMDB35464 #<Reference:0x000055ce333985a8> Herbs and Spices Unknown generic