delphinidin 3-O-rutinoside-7-O-(6-O-(4-O-(glucosyl)-oxybenzoyl)-glucoside)
Chemical Formula:
C46H54O28
Molecular Weight:
1054.916 Daltons
Monoisotopic Mass:
1055.2879861843 Daltons
SMILES:
CC8(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+]C7(C(C=3)=C([O-])C=C(OC6(OC(COC(=O)C5(C=CC(OC4(OC(CO)C(O)C(O)C(O)4))=CC=5))C(O)C(O)C(O)6))C=7))))O8)
InChI:
1S/C46H54O28/c1-14-28(51)33(56)37(60)43(67-14)66-13-27-32(55)36(59)40(63)46(74-27)71-24-10-19-20(48)8-18(9-23(19)70-41(24)16-6-21(49)29(52)22(50)7-16)69-45-39(62)35(58)31(54)26(73-45)12-65-42(64)15-2-4-17(5-3-15)68-44-38(61)34(57)30(53)25(11-47)72-44/h2-10,14,25-28,30-40,43-47,51,53-63H,11-13H2,1H3,(H3-,48,49,50,52)/t14-,25-,26-,27-,28-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,43-,44-,45-,46-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-16560
PubChem (CID):
90658013
MetaNetX:
MNXM148203