delphinidin-3-O-β-D-glucoside





Chemical Formula:
C21H19O12
Molecular Weight:
463.374 Daltons
Monoisotopic Mass:
465.1033011393 Daltons
SMILES:
C(O)C1(C(O)C(O)C(O)C(O1)OC3(C(C2(C=C(O)C(O)=C(O)C=2))=[O+]C4(C(C=3)=C([O-])C=C([O-])C=4)))
InChI:
1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p-1/t15-,17-,18+,19-,21-/m1/s1

Synonyms
  • delfinidin-3-O-glucoside
  • Mirtillin
  • Delphinidin 3-O-glucoside
  • Delphinidin 3-glucoside

Databases
MetaCyc:  CPD-7117
PubChem (CID):  102515359
HMDB:  HMDB37997
LIPID MAPS:  LMPK12010278
ChEBI:  31463
KEGG:  C12138
NIKKAJI:  J363.282B
KNApSAcK:  C00038964 C00006698
CHEMBL:  CHEMBL518846
PupChem (SID):  14285
Seed:  cpd08920
MetaNetX:  MNXM1474