salvianin
Chemical Formula:
C42H38O24
Molecular Weight:
926.748 Daltons
Monoisotopic Mass:
929.1987772465 Daltons
SMILES:
C(OC(=O)C=CC1(=CC=C(O)C(O)=C1))C2(C(O)C(O)C(O)C(O2)OC4(=CC6(=C([O+]=C(C3(=CC=C(O)C=C3))4)C=C(C=C(OC5(C(C(C(C(O5)COC(=O)CC(=O)[O-])OC(CC([O-])=O)=O)O)O))6)[O-])))
InChI:
1S/C42H40O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49)50)28(65-42)16-60-32(52)13-29(47)48/h1-12,27-28,34-38,40-42,54-58H,13-16H2,(H5-,43,44,45,46,47,48,49,50,51)/p-2/t27-,28-,34-,35+,36-,37-,38-,40-,41-,42-/m1/s1
InChIKey:
Synonyms
- pelargonidin 3-O-(6-caffeoyl-β-D-glucoside) 5-O--(4,6-di-O-malonyl-β-D-glucoside)
Databases
MetaCyc:
CPD-7142
RefMet:
Salvianin
ChEBI:
71606
KEGG:
C12647
Seed:
cpd09278
MetaNetX:
MNXM9102
3DMET:
B04674