delphinidin-3-O-(6''-O-malonyl)-β-glucoside-3'-O-β-glucoside
Chemical Formula:
C30H31O20
Molecular Weight:
711.563 Daltons
Monoisotopic Mass:
713.1565185013001 Daltons
SMILES:
C(O)C5(OC(OC1(C(O)=C(O)C=C(C=1)C3(C(OC2(C(O)C(O)C(O)C(COC(CC(=O)[O-])=O)O2))=CC4(C([O+]=3)=CC(O)=CC([O-])=4))))C(O)C(O)C(O)5)
InChI:
1S/C30H32O20/c31-7-17-22(39)24(41)26(43)29(49-17)47-15-2-9(1-13(34)21(15)38)28-16(5-11-12(33)3-10(32)4-14(11)46-28)48-30-27(44)25(42)23(40)18(50-30)8-45-20(37)6-19(35)36/h1-5,17-18,22-27,29-31,39-44H,6-8H2,(H4-,32,33,34,35,36,38)/p-1/t17-,18-,22-,23-,24+,25+,26-,27-,29-,30-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7870
ChEBI:
58913
PubChem (CID):
25201660
KEGG:
C16304
Seed:
cpd15020
MetaNetX:
MNXM2366