Compound - MetaboFood

Name	Cyanidin 3-o-(6 acetyl) glucoside
Alternative name	cyanidin 3-O-(6-O-acetyl-beta-D-glucoside)
Formula	C₂₃H₂₃O₁₂+
Formula Weight	491.40 g/mol
Molecular Weight	491.40 g/mol
Monoisotopic Mass	491.119000 g/mol
InChI Key	HBXXDBKJLPLXPR-ZFVIQDPVSA-O
IUPAC	[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate
InChI	InChI=1S/C27H30O16/c28-7-17-19(34)21(36)22(37)26(41-17)43-25-20(35)18(8-29)42-27(23(25)38)40-16-6-11-13(32)4-10(30)5-15(11)39-24(16)9-1-2-12(31)14(33)3-9/h1-6,17-23,25-29,34-38H,7-8H2,(H3-,30,31,32,33)/p+1/t17-,18-,19-,20-,21+,22-,23-,25+,26+,27-/m1/s1
SMILES	OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=CC4=C(O)C=C(O)C=C4[O+]=C3C3=CC(O)=C(O)C=C3)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

Cyanidin 3-o-(6 acetyl) glucoside