delphinidin 3-O-(6''-O-malonyl)-β-glucoside

delphinidin 3-<i>O</i>-(6''-<i>O</i>-malonyl)-β-glucoside




Chemical Formula:
C24H20O15
Molecular Weight:
548.413 Daltons
Monoisotopic Mass:
551.1036950698 Daltons
SMILES:
C(OC(CC(=O)[O-])=O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(=CC(O)=C(O)C(O)=C2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
InChI:
1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p-2/t16-,20-,21+,22-,24-/m1/s1
InChIKey:
FNFHDAUGLIPVPU-XQKZCQIMSA-L

Databases
MetaCyc:  CPD-7862
ChEBI:  77887
PubChem (CID):  86289400
HMDB:  HMDB29247
KEGG:  C16301
MetaNetX:  MNXM2114