delphinidin 3-O-β-D-sambubioside

delphinidin 3-<i>O</i>-β-<i>D</i>-sambubioside




Chemical Formula:
C26H27O16
Molecular Weight:
595.49 Daltons
Monoisotopic Mass:
597.1455598845 Daltons
SMILES:
C5(C(C4([O+]=C1(C(C([O-])=CC([O-])=C1)=CC(OC3(OC(C(O)C(O)C(OC2(OCC(O)C(O)C(O)2))3)CO))=4)))=CC(O)=C(O)C(O)=5)
InChI:
1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p-1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey:
TWYYVOVDSNRIJM-AFAGGVQESA-M

Synonyms
  • delphinidin 3-O-[2"-O-(xylosyl)] glucoside
  • delphinidin 3-sambubioside

Databases
MetaCyc:  CPD-18092
PubChem (CID):  102515146
KEGG:  C20491
ChemSpider:  8372337
ChEBI:  74810
MetaNetX:  MNXM25771