delphinidin 3-O-glucosyl-5-O-(caffeoylglucoside-3'-O-glucoside)
Chemical Formula:
C42H46O25
Molecular Weight:
950.81 Daltons
Monoisotopic Mass:
951.2406420612 Daltons
SMILES:
C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(O)=C(O)C=C(C=2)C4(C(OC3(OC(CO)C(O)C(O)C(O)3))=CC7(=C([O+]=4)C=C([O-])C=C(OC6(C(O)C(O)C(O)C(COC(=O)C=CC5(=CC=C(O)C(O)=C5))O6))7))))
InChI:
1S/C42H46O25/c43-11-25-30(51)33(54)36(57)41(65-25)63-23-7-15(6-20(48)29(23)50)39-24(64-42-37(58)34(55)31(52)26(12-44)66-42)10-17-21(61-39)8-16(45)9-22(17)62-40-38(59)35(56)32(53)27(67-40)13-60-28(49)4-2-14-1-3-18(46)19(47)5-14/h1-10,25-27,30-38,40-44,51-59H,11-13H2,(H4-,45,46,47,48,49,50)/t25-,26-,27-,30-,31-,32-,33+,34+,35+,36-,37-,38-,40-,41-,42-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-7963
PubChem (CID):
90657951
ChEBI:
80469
MetaNetX:
MNXM5119
KEGG:
C16354