cyanidin 3-O-(3'',6''-O-dimalonyl-β-glucopyranoside)

cyanidin 3-<i>O</i>-(3'',6''-<i>O</i>-dimalonyl-β-glucopyranoside)




Chemical Formula:
C27H21O17
Molecular Weight:
617.453 Daltons
Monoisotopic Mass:
621.1091743782 Daltons
SMILES:
C(OC(=O)CC([O-])=O)C1(C(O)C(OC(=O)CC(=O)[O-])C(O)C(O1)OC3(C(C2(=CC=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
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-3/t18-,23-,24-,26+,27-/m1/s1
InChIKey:
CXGHPQSURHQOBH-MQWSOPDOSA-K

Databases
MetaCyc:  CPD-7700
PubChem (CID):  102515473
HMDB:  HMDB30096
KEGG:  C16289
MetaNetX:  MNXM47955
ChEBI:  80425