Compound - MetaboFood

Name	Cyanidin 3-(malonyl)-glucoside-5-glucoside
Alternative name	Cyanidin 3-(6''-malonylglucoside)-5-glucoside
Formula	C₃₀H₃₃O₁₉+
Formula Weight	697.60 g/mol
Molecular Weight	697.60 g/mol
Monoisotopic Mass	697.162000 g/mol
InChI Key	XBASGINDWROQJV-VGIJTUILSA-O
IUPAC	3-[[(3S,6S)-6-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChI	InChI=1S/C33H34O22/c34-12-4-15(36)13-6-18(30(51-17(13)5-12)11-1-2-14(35)16(37)3-11)52-33-29(48)31(26(45)20(54-33)10-50-24(43)8-22(40)41)55-32-28(47)27(46)25(44)19(53-32)9-49-23(42)7-21(38)39/h1-6,19-20,25-29,31-33,44-48H,7-10H2,(H5-,34,35,36,37,38,39,40,41)/p+1/t19-,20-,25-,26-,27+,28-,29-,31+,32+,33-/m1/s1
SMILES	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](O[C@H]2[C@H](O)[C@@H](COC(=O)CC(O)=O)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC=C(O)C(O)=C3)[C@@H]2O)[C@H](O)[C@H]1O

Cyanidin 3-(malonyl)-glucoside-5-glucoside