Compound - MetaboFood

Name	Delphinidin-3-5-o-diglucoside
Alternative name	Delphinidin 3-rutinoside
Formula	C₂₇H₃₁ClO₁₇
Formula Weight	663.00 g/mol
Molecular Weight	663.00 g/mol
Monoisotopic Mass	662.125000 g/mol
InChI Key	HKHQPWJHAKAMGC-UHFFFAOYSA-N
IUPAC	2-(hydroxymethyl)-6-[7-hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromenylium-5-yl]oxyoxane-3,4,5-triol;chloride
InChI	InChI=1S/C27H30O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-29,34-39H,6-7H2,(H3-,30,31,32,33)/p+1/t16-,17-,19-,20-,21+,22+,23-,24-,26-,27-/m1/s1
SMILES	OC[C@H]1O[C@@H](OC2=CC(O)=CC3=[O+]C(=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=C23)C2=CC(O)=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

Delphinidin-3-5-o-diglucoside