cyanidin 3-O-β-(2-O-β-D-glucosyluronate)-β-D-glucoside
Chemical Formula:
C27H27O17
Molecular Weight:
623.5 Daltons
Monoisotopic Mass:
625.1404745066 Daltons
SMILES:
C(O)C5(C(O)C(O)C(OC1(OC(C([O-])=O)C(O)C(O)C(O)1))C(OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C(O)C=4)))O5)
InChI:
1S/C27H28O17/c28-7-16-17(33)19(35)24(44-26-21(37)18(34)20(36)23(43-26)25(38)39)27(42-16)41-15-6-10-12(31)4-9(29)5-14(10)40-22(15)8-1-2-11(30)13(32)3-8/h1-6,16-21,23-24,26-28,33-37H,7H2,(H4-,29,30,31,32,38,39)/p-1/t16-,17-,18+,19+,20+,21-,23+,24-,26+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-12729
PubChem (CID):
90657144
Seed:
cpd21008
MetaNetX:
MNXM5108
KEGG:
C19762