Compound - MetaboFood

Name	Cyanidin 3-o-(6’’-malony-glucoside)
Alternative name	Cyanidin 3-malonylglucoside
Formula	C₂₄H₂₃O₁₄+
Formula Weight	535.40 g/mol
Molecular Weight	535.40 g/mol
Monoisotopic Mass	535.109000 g/mol
InChI Key	ROQLTZUOXIQBDO-UHFFFAOYSA-O
IUPAC	3-[[6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChI	InChI=1S/C24H22O14/c25-10-4-13(27)11-6-16(23(36-15(11)5-10)9-1-2-12(26)14(28)3-9)37-24-22(34)21(33)20(32)17(38-24)8-35-19(31)7-18(29)30/h1-6,17,20-22,24,32-34H,7-8H2,(H4-,25,26,27,28,29,30)/p+1
SMILES	OC1C(COC(=O)CC(O)=O)OC(OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)C(O)C1O

Cyanidin 3-o-(6’’-malony-glucoside)