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

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




Chemical Formula:
C32H38O20
Molecular Weight:
742.64 Daltons
Monoisotopic Mass:
743.2034686939 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(O)=C(O)C=6)
InChI:
1S/C32H38O20/c33-7-19-22(40)24(42)27(45)31(50-19)48-17-5-11(35)4-16-12(17)6-18(28(47-16)10-1-2-13(36)14(37)3-10)49-32-29(25(43)23(41)20(8-34)51-32)52-30-26(44)21(39)15(38)9-46-30/h1-6,15,19-27,29-34,38-45H,7-9H2,(H2-,35,36,37)/t15-,19-,20-,21+,22-,23-,24+,25+,26-,27-,29-,30+,31-,32-/m1/s1
InChIKey:
OLBLWNPOURNBCY-MRBLLYQQSA-N

Synonyms
  • cyanidin 3-sambubioside 5-glucoside

Databases
MetaCyc:  CPD-18094
PubChem (CID):  102514908
Seed:  cpd28980
HMDB:  HMDB37980
MetaNetX:  MNXM29181
KEGG:  C20493