cyanidin 3-O-β-D-sambubioside

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




Chemical Formula:
C26H27O15
Molecular Weight:
579.49 Daltons
Monoisotopic Mass:
581.1506452624 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=5)
InChI:
1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p-1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey:
ZPPQIOUITZSYAO-AOBOYTTNSA-M

Synonyms
  • sambicyanin
  • cyanidin 3-sambubioside
  • cyanidin-3-xyloglucoside
  • cyanidin 3-O-[2"-O-(xylosyl)] glucoside

Databases
MetaCyc:  CPD-16535
PubChem (CID):  102514937
KEGG:  C20490
ChEBI:  74811
MetaboLights:  MTBLC74811
ChemSpider:  5034738
KNApSAcK:  C00006657
MetaNetX:  MNXM147070