cyanidin 3-O-β-D-caffeoylglucoside

cyanidin 3-<i>O</i>-β-<i>D</i>-caffeoylglucoside




Chemical Formula:
C30H25O14
Molecular Weight:
609.519 Daltons
Monoisotopic Mass:
611.1400805761 Daltons
SMILES:
C1(C=C(O)C(O)=CC=1C=CC(=O)OCC5(OC(OC3(C(=[O+]C2(C(=C([O-])C=C([O-])C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(O)C(O)C(O)5))
InChI:
1S/C30H26O14/c31-15-9-19(34)16-11-23(29(42-22(16)10-15)14-3-5-18(33)21(36)8-14)43-30-28(40)27(39)26(38)24(44-30)12-41-25(37)6-2-13-1-4-17(32)20(35)7-13/h1-11,24,26-28,30,38-40H,12H2,(H5-,31,32,33,34,35,36,37)/p-1/t24-,26-,27+,28-,30-/m1/s1
InChIKey:
RTVUMLBJQCCROY-SHPGVJHPSA-M

Synonyms
  • cyanidin 3-O-[6"-O-(caffeoyl)] glucoside

Databases
MetaCyc:  CPD-18098
PubChem (CID):  102514964
Seed:  cpd15085
ChEBI:  80476
MetaNetX:  MNXM11214
KEGG:  C16369