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

InChIKey:

MGJLSBDCWOSMHL-MIUGBVLSSA-N

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