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

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




Chemical Formula:
C35H33O16
Molecular Weight:
709.636 Daltons
Monoisotopic Mass:
711.1925100771 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=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))
InChI:
1S/C35H34O16/c36-18-6-1-16(2-7-18)3-10-27(41)46-15-26-29(43)30(44)33(51-34-31(45)28(42)23(40)14-47-34)35(50-26)49-25-13-21-22(39)11-20(38)12-24(21)48-32(25)17-4-8-19(37)9-5-17/h1-13,23,26,28-31,33-35,40,42-45H,14-15H2,(H3-,36,37,38,39,41)/p-1/t23-,26-,28+,29-,30+,31-,33-,34+,35-/m1/s1
InChIKey:
YGZYUUFOXHFXGY-YONICNLVSA-M

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

Databases
MetaCyc:  CPD-18099
PubChem (CID):  102515242
MetaNetX:  MNXM168842