delphinidin 3,3',5-tri-O-β-D-glucoside
Chemical Formula:
C33H40O22
Molecular Weight:
788.666 Daltons
Monoisotopic Mass:
789.2089480023001 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OC6(C5(C=C(OC2(C(O)C(O)C(O)C(CO)O2))C(C4(=CC(O)=C(O)C(OC3(C(O)C(O)C(O)C(CO)O3))=C4))=[O+]C=5C=C([O-])C=6)))
InChI:
1S/C33H40O22/c34-6-17-21(40)24(43)27(46)31(53-17)50-14-4-10(37)3-13-11(14)5-16(52-33-29(48)26(45)23(42)19(8-36)55-33)30(49-13)9-1-12(38)20(39)15(2-9)51-32-28(47)25(44)22(41)18(7-35)54-32/h1-5,17-19,21-29,31-36,40-48H,6-8H2,(H2-,37,38,39)/t17-,18-,19-,21-,22-,23-,24+,25+,26+,27-,28-,29-,31-,32-,33-/m1/s1
InChIKey:
Synonyms
- delphinidin 3,5,3'-triglucoside
Databases
MetaCyc:
CPD-7966
PubChem (CID):
25200961
ChEBI:
77844
KEGG:
C16314
Seed:
cpd15030
MetaNetX:
MNXM5712