cyanidin 3-O-β-D-(caffeoyl)-sambubioside

cyanidin 3-<i>O</i>-β-<i>D</i>-(caffeoyl)-sambubioside




Chemical Formula:
C35H34O18
Molecular Weight:
742.643 Daltons
Monoisotopic Mass:
743.1823393213 Daltons
SMILES:
C1(C=C(O)C(O)=CC=1C=CC(=O)OCC6(OC(OC3(C(=[O+]C2(C(=C([O-])C=C(O)C=2)C=3))C4(=CC(O)=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))
InChI:
1S/C35H34O18/c36-16-9-20(39)17-11-25(32(50-24(17)10-16)15-3-5-19(38)22(41)8-15)51-35-33(53-34-31(47)28(44)23(42)12-49-34)30(46)29(45)26(52-35)13-48-27(43)6-2-14-1-4-18(37)21(40)7-14/h1-11,23,26,28-31,33-35,42,44-47H,12-13H2,(H5-,36,37,38,39,40,41,43)/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1
InChIKey:
XGQPXBKBCOHIQI-YONICNLVSA-N

Synonyms
  • cyanidin 3-O-[2"-O-xylosyl) 6"-O-(caffeoyl) glucoside

Databases
MetaCyc:  CPD-18097
PubChem (CID):  102515449
MetaNetX:  MNXM167486