1.0 2010-04-08 22:15:38 UTC 2025-11-19 02:36:59 UTC FDB021353 Cyanidin 3-(3''-malonyl-glucoside) Constituent of caucus (Allium victorialis). Cyanidin 3-(3''-malonyl-glucoside) is found in onion-family vegetables. 3-O-(3-O-Malonyl-b-D-glucopyranoside) 3,3',4',5,7-Pentahydroxyflavylium(1+); 3-O-(3-O-Malonyl-b-D-glucopyranoside) Cyanidin 3-(3''-malonylglucoside) Cyanidin 3-O-(3-O-Malonyl-b-D-glucopyranoside) Cyanidin 3-O-(3''-malonyl-glucoside) C24H23O14 535.431 535.108780444 3-({4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium 3-({4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium 171828-61-8 OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(OC(=O)CC(O)=O)C1O InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1 AWPCCUSBXWEBBS-UHFFFAOYSA-O belongs to the class of organic compounds known as anthocyanidin-3-o-glycosides. These are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Anthocyanidin-3-O-glycosides Organic compounds Phenylpropanoids and polyketides Flavonoids Flavonoid glycosides Aromatic heteropolycyclic compounds 1,3-dicarbonyl compounds 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 4'-hydroxyflavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids Acetals Anthocyanidins Benzene and substituted derivatives Carboxylic acid esters Carboxylic acids Catechols Dicarboxylic acids and derivatives Flavonoid-3-O-glycosides Heteroaromatic compounds Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic cations Organic oxides Oxacyclic compounds Oxanes Primary alcohols Secondary alcohols 1,3-dicarbonyl compound 1-benzopyran 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid 4'-hydroxyflavonoid 5-hydroxyflavonoid 7-hydroxyflavonoid Acetal Alcohol Anthocyanidin Anthocyanidin-3-o-glycoside Aromatic heteropolycyclic compound Benzenoid Benzopyran Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid ester Catechol Dicarboxylic acid or derivatives Flavonoid-3-o-glycoside Glycosyl compound Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Hydroxyflavonoid Monocyclic benzene moiety Monosaccharide O-glycosyl compound Organic cation Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Phenol Primary alcohol Secondary alcohol logp 0.85 ALOGPS logs -3.09 ALOGPS solubility 4.67e-01 g/l ALOGPS logp 0.68 ChemAxon pka_strongest_acidic 3.36 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-({4-[(2-carboxyacetyl)oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl}oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1λ⁴-chromen-1-ylium ChemAxon average_mass 535.431 ChemAxon mono_mass 535.108780444 ChemAxon smiles OCC1OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C(OC(=O)CC(O)=O)C1O ChemAxon formula C24H23O14 ChemAxon inchi InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1 ChemAxon inchikey AWPCCUSBXWEBBS-UHFFFAOYSA-O ChemAxon polar_surface_area 236.81 ChemAxon refractivity 131.75 ChemAxon polarizability 49.58 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 12 ChemAxon donor_count 8 ChemAxon physiological_charge -1 ChemAxon formal_charge 1 ChemAxon Specdb::MsMs 297391 Specdb::MsMs 297392 Specdb::MsMs 297393 Specdb::MsMs 2494661 Specdb::MsMs 2494662 Specdb::MsMs 2494663 Specdb::CMs 14235 Specdb::CMs 47302 Specdb::CMs 249377 Specdb::CMs 249378 Specdb::CMs 249379 Specdb::CMs 249380 Specdb::CMs 249381 Specdb::CMs 249382 Specdb::CMs 249383 Specdb::CMs 249384 Specdb::CMs 249385 Specdb::CMs 249386 Specdb::CMs 249387 Specdb::CMs 249388 Specdb::CMs 249389 Specdb::CMs 249390 Specdb::CMs 249391 Specdb::CMs 249392 Specdb::CMs 249393 Specdb::CMs 249394 Specdb::CMs 249395 Specdb::CMs 249396 Specdb::CMs 249397 Specdb::CMs 249398 Specdb::CMs 249399 HMDB41409 #<Reference:0x000055ce318b2ea0> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875