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

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




Chemical Formula:
C35H34O17
Molecular Weight:
726.643 Daltons
Monoisotopic Mass:
727.1874246991999 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=C(O)C=C4)))C(OC5(OCC(O)C(O)C(O)5))C(O)C(O)6))
InChI:
1S/C35H34O17/c36-17-5-3-16(4-6-17)32-25(12-19-21(39)10-18(37)11-24(19)49-32)50-35-33(52-34-31(46)28(43)23(41)13-48-34)30(45)29(44)26(51-35)14-47-27(42)8-2-15-1-7-20(38)22(40)9-15/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:
JBMPKBPWGYJDNW-YONICNLVSA-N

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

Databases
MetaCyc:  CPD-18100
PubChem (CID):  102515511
MetaNetX:  MNXM168841