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

InChIKey:

XENHPQQLDPAYIJ-PEVLUNPASA-M

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