delphinidin 3-O-glucosyl-5-O-caffeoylglucoside

delphinidin 3-<i>O</i>-glucosyl-5-<i>O</i>-caffeoylglucoside




Chemical Formula:
C36H36O20
Molecular Weight:
788.668 Daltons
Monoisotopic Mass:
789.1878186297 Daltons
SMILES:
C(O)C6(C(O)C(O)C(O)C(OC2(C(C1(C=C(O)C(O)=C(O)C=1))=[O+]C5(=C(C=2)C(OC4(C(O)C(O)C(O)C(COC(=O)C=CC3(C=CC(O)=C(O)C=3))O4))=CC([O-])=C5)))O6)
InChI:
1S/C36H36O20/c37-11-24-28(45)30(47)32(49)36(55-24)54-23-10-16-21(52-34(23)14-6-19(41)27(44)20(42)7-14)8-15(38)9-22(16)53-35-33(50)31(48)29(46)25(56-35)12-51-26(43)4-2-13-1-3-17(39)18(40)5-13/h1-10,24-25,28-33,35-37,45-50H,11-12H2,(H5-,38,39,40,41,42,43,44)/t24-,25-,28-,29-,30+,31+,32-,33-,35?,36?/m1/s1
InChIKey:
IKPXCKVGTSPZDV-KKDWAMKNSA-N

Databases
MetaCyc:  CPD-7960
PubChem (CID):  25244498 145864994
KEGG:  C16313
Seed:  cpd24994
MetaNetX:  MNXM148201
ChEBI:  80440