delphinidin 3-O-rutinoside-7-O-(6-O-(p-hydroxybenzoyl)-glucoside)
Chemical Formula:
C40H44O23
Molecular Weight:
892.774 Daltons
Monoisotopic Mass:
893.2351627528 Daltons
SMILES:
CC7(C(O)C(O)C(O)C(OCC1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C6(C(C=3)=C([O-])C=C(OC5(OC(COC(=O)C4(C=CC(O)=CC=4))C(O)C(O)C(O)5))C=6))))O7)
InChI:
1S/C40H44O23/c1-13-26(45)30(49)33(52)38(58-13)57-12-25-29(48)32(51)35(54)40(63-25)61-23-10-18-19(42)8-17(9-22(18)60-36(23)15-6-20(43)27(46)21(44)7-15)59-39-34(53)31(50)28(47)24(62-39)11-56-37(55)14-2-4-16(41)5-3-14/h2-10,13,24-26,28-35,38-40,45,47-54H,11-12H2,1H3,(H4-,41,42,43,44,46,55)/t13-,24-,25-,26-,28-,29-,30+,31+,32+,33+,34-,35-,38-,39-,40-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16559
PubChem (CID):
90658852
MetaNetX:
MNXM148204