Compound - MetaboFood

Name	Cyanidin 3-(3",6"-dimalonylglucoside)
Alternative name	Urolithin B glucuronide; Urolithin B 3-O-glucuronide
Formula	C₂₇H₂₅O₁₇+
Formula Weight	621.50 g/mol
Molecular Weight	621.50 g/mol
Monoisotopic Mass	621.109000 g/mol
InChI Key	CXGHPQSURHQOBH-MQWSOPDOSA-O
IUPAC	3-[[(2R,3R,4S,5R,6S)-4-(2-carboxyacetyl)oxy-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChI	InChI=1S/C27H24O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-27,38-39H,7-9H2,(H5-,28,29,30,31,32,33,34,35)/p+1/t18-,23-,24-,26+,27-/m1/s1
SMILES	O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=C([O+]=C3C=C(O)C=C(O)C3=C2)C2=CC(O)=C(O)C=C2)[C@H](O)[C@H]1OC(=O)CC(O)=O

Cyanidin 3-(3",6"-dimalonylglucoside)