gentiodelphin
Chemical Formula:
C51H52O28
Molecular Weight:
1112.955 Daltons
Monoisotopic Mass:
1113.2723361201 Daltons
SMILES:
C(O)C8(C(O)C(O)C(O)C(OC4(C(C3(=CC(O)=C(O)C(OC2(C(O)C(O)C(O)C(COC(=O)C=CC1(=CC=C(O)C(O)=C1))O2))=C3))=[O+]C7(=C(C=4)C(OC6(C(O)C(O)C(O)C(COC(=O)C=CC5(=CC=C(O)C(O)=C5))O6))=CC([O-])=C7)))O8)
InChI:
1S/C51H52O28/c52-16-33-39(62)42(65)45(68)51(77-33)76-32-15-23-29(13-22(53)14-30(23)74-49-46(69)43(66)40(63)34(78-49)17-71-36(59)7-3-19-1-5-24(54)26(56)9-19)73-48(32)21-11-28(58)38(61)31(12-21)75-50-47(70)44(67)41(64)35(79-50)18-72-37(60)8-4-20-2-6-25(55)27(57)10-20/h1-15,33-35,39-47,49-52,62-70H,16-18H2,(H6-,53,54,55,56,57,58,59,60,61)/t33-,34-,35-,39-,40-,41-,42+,43+,44+,45-,46-,47-,49-,50-,51-/m1/s1
InChIKey:
Synonyms
- delphinidin 3-O-glucosyl-5-O-caffeoylglucoside-3'-O-caffeoylglucoside
Databases
MetaCyc:
CPD-7965
PubChem (CID):
90657364
KEGG:
C08641
Seed:
cpd05548
MetaNetX:
MNXM6275
ChEBI:
5319