cyanidin 3-O-β-D-(p-coumaroyl)-sambubioside

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




Chemical Formula:
C35H34O17
Molecular Weight:
726.643 Daltons
Monoisotopic Mass:
727.1874246991999 Daltons
SMILES:
C1(C=C(O)C=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/C35H34O17/c36-17-5-1-15(2-6-17)3-8-27(42)47-14-26-29(44)30(45)33(52-34-31(46)28(43)23(41)13-48-34)35(51-26)50-25-12-19-21(39)10-18(37)11-24(19)49-32(25)16-4-7-20(38)22(40)9-16/h1-12,23,26,28-31,33-35,41,43-46H,13-14H2,(H4-,36,37,38,39,40,42)/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1
InChIKey:
KMIJRKZNTFVLAI-YONICNLVSA-N

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

Databases
MetaCyc:  CPD-16536
PubChem (CID):  102515296
MetaNetX:  MNXM29449