cyanidin 3-O-(6-O-β-D-glucosyl-2-O-β-D-xylosyl-β-D-galactoside)
Chemical Formula:
C32H38O20
Molecular Weight:
742.64 Daltons
Monoisotopic Mass:
743.2034686939 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OCC3(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))C(O3)OC5(C(C4(=CC=C(O)C(O)=C4))=[O+]C6(C(C=5)=C([O-])C=C(O)C=6))))
InChI:
1S/C32H38O20/c33-7-19-22(40)24(42)27(45)30(50-19)47-9-20-23(41)25(43)29(52-31-26(44)21(39)16(38)8-46-31)32(51-20)49-18-6-12-14(36)4-11(34)5-17(12)48-28(18)10-1-2-13(35)15(37)3-10/h1-6,16,19-27,29-33,38-45H,7-9H2,(H3-,34,35,36,37)/t16-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30-,31+,32-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-14999
PubChem (CID):
90658401
MetaNetX:
MNXM163344