Compound - MetaboFood

Name	Petunidin-3-o-(6"-o-p-coumaroyl)-5-o-diglucoside
Alternative name	Petunin
Formula	C₂₈H₃₃O₁₇
Formula Weight	641.55 g/mol
Molecular Weight	641.55 g/mol
Monoisotopic Mass	641.172000 g/mol
InChI Key	KLRABYJGMPNMSA-UHFFFAOYSA-O
IUPAC	2-(3,4-dihydroxy-5-methoxyphenyl)-7-hydroxy-3,5-bis({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-1lambda4-chromen-1-ylium
InChI	InChI=1S/C28H32O17/c1-40-15-3-9(2-12(32)19(15)33)26-16(43-28-25(39)23(37)21(35)18(8-30)45-28)6-11-13(41-26)4-10(31)5-14(11)42-27-24(38)22(36)20(34)17(7-29)44-27/h2-6,17-18,20-25,27-30,34-39H,7-8H2,1H3,(H2-,31,32,33)/p+1
SMILES	COC1=C(O)C(O)=CC(=C1)C1=[O+]C2=C(C=C1OC1OC(CO)C(O)C(O)C1O)C(OC1OC(CO)C(O)C(O)C1O)=CC(O)=C2

Petunidin-3-o-(6"-o-p-coumaroyl)-5-o-diglucoside