pelargonidin-3,5-diglucoside-5-O-p-coumaroylglucoside

Chemical Formula:

C₃₆H₃₆O₁₇

Molecular Weight:

740.67 Daltons

Monoisotopic Mass:

741.2030747634001 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(C=CC(=CC=6)O))=O)))))O

InChI:

1S/C36H36O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1-13,25-26,28-33,35-37,42-47H,14-15H2,(H2-,38,39,40,41)/t25-,26-,28-,29-,30+,31+,32-,33-,35?,36?/m1/s1

InChIKey:

GBDTYZCMNRLPES-NFETXEPXSA-N

Databases

MetaCyc: CPD-7151

PubChem (CID): 90657578 145865012

Seed: cpd24736

MetaNetX: MNXM8994