cyanidin 3-O-glucoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside)
Chemical Formula:
C40H44O23
Molecular Weight:
892.774 Daltons
Monoisotopic Mass:
893.2351627528 Daltons
SMILES:
C(O)C7(C(O)C(O)C(O)C(OC6(C=CC(C(OCC5(C(O)C(O)C(O)C(OC4(=CC([O-])=C3(C=C(OC1(C(O)C(O)C(O)C(CO)O1))C(C2(C=CC(O)=C(O)C=2))=[O+]C3=C4)))O5))=O)=CC=6))O7)
InChI:
1S/C40H44O23/c41-11-24-27(46)30(49)33(52)38(61-24)57-16-4-1-14(2-5-16)37(55)56-13-26-29(48)32(51)34(53)39(63-26)58-17-8-20(44)18-10-23(60-40-35(54)31(50)28(47)25(12-42)62-40)36(59-22(18)9-17)15-3-6-19(43)21(45)7-15/h1-10,24-35,38-42,46-54H,11-13H2,(H2-,43,44,45)/t24-,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35-,38-,39-,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16603
PubChem (CID):
90657732
MetaNetX:
MNXM148169