pelargonidin-3,5-diglucoside-5-O-caffeoylglucoside
Chemical Formula:
C36H36O18
Molecular Weight:
756.67 Daltons
Monoisotopic Mass:
757.1979893855 Daltons
SMILES:
C(C1(OC(C(C(C1O)O)O)OC2(=CC4(C(=CC(=CC([O+]=C2C3(C=CC(=CC=3)O))=4)[O-])OC5(OC(C(C(C5O)O)O)COC(C=CC6(=CC(=C(C=C6)O)O))=O)))))O
InChI:
1S/C36H36O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15/h1-12,25-26,28-33,35-37,43-48H,13-14H2,(H3-,38,39,40,41,42)/t25-,26-,28-,29-,30+,31+,32-,33-,35+,36-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7150
Seed:
cpd24735
MetaNetX:
MNXM93764