ononin





Chemical Formula:
C22H22O9
Molecular Weight:
430.41 Daltons
Monoisotopic Mass:
430.12638230510004 Daltons
SMILES:
COC1(C=CC(=CC=1)C3(C(C2(C=CC(=CC=2OC=3)OC4(C(C(O)C(C(CO)O4)O)O)))=O))
InChI:
1S/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3/t17-,19-,20+,21-,22-/m1/s1

Synonyms
  • formononetin-7-O-glucoside
  • formononetin 7-O-glucoside
  • formononetin 7-O-β-glucoside
  • formononetin-7-O-beta-D-glucopyranoside
  • formononetin glucoside
  • 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

Databases
MetaCyc:  ONONIN
PubChem (CID):  442813
MetaboLights:  MTBLC7775
HMDB:  HMDB33987
LIPID MAPS:  LMPK12050014
KEGG:  C10509
ChEBI:  7775
CAS:  486-62-4
Seed:  cpd07395
MetaNetX:  MNXM3076