pelargonidin 5-O-β-D-glucoside 3-O-β-D-sambubioside

pelargonidin 5-<i>O</i>-β-<i>D</i>-glucoside 3-<i>O</i>-β-<i>D</i>-sambubioside




Chemical Formula:
C32H38O19
Molecular Weight:
726.641 Daltons
Monoisotopic Mass:
727.2085540718 Daltons
SMILES:
C6(C(C5([O+]=C2(C(C(OC1(C(C(C(O)C(O1)CO)O)O))=CC([O-])=C2)=CC(OC4(OC(C(O)C(O)C(OC3(OCC(O)C(O)C(O)3))4)CO))=5)))=CC=C(O)C=6)
InChI:
1S/C32H38O19/c33-8-19-22(39)24(41)27(44)31(49-19)47-17-6-13(36)5-16-14(17)7-18(28(46-16)11-1-3-12(35)4-2-11)48-32-29(25(42)23(40)20(9-34)50-32)51-30-26(43)21(38)15(37)10-45-30/h1-7,15,19-27,29-34,37-44H,8-10H2,(H-,35,36)/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
InChIKey:
NNEATHLRLZWIRN-MRBLLYQQSA-N

Synonyms
  • pelargonidin 3-sambubioside-5-glucoside

Databases
MetaCyc:  CPD-18093
PubChem (CID):  102515498
MetaNetX:  MNXM28826
KEGG:  C20492