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ononin

Properties

Image

Occurences in reactions

MNX_ID

MNXM733814

	#reac
in my sandbox	0
in MNXref (generic)	9
in models (compartimentalized)	0

formula

C₂₂H₂₂O₉

charge

mass

430.12638

reference

chebi:7775

InChIKey

MGJLSBDCWOSMHL-MIUGBVLSSA-N

InChI

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

SMILES

COc1ccc(-c2coc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3c2=O)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7775 chebi:7775	ononin 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside 4'-methoxyisoflavone-7-O-beta-D-glucopyranoside Formononetin 7-O-glucoside Formononetin glucoside Ononin formononetin 7-O-beta-D-glucopyranoside
sabiork.compound:30209 sabiorkM:30209	Formononetin glucoside
seed.compound:cpd07395 seedM:cpd07395	Ononin 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one Formononetin 7-O-glucoside formononetin 7-O-beta-glucoside formononetin 7-O-glucoside formononetin glucoside formononetin-7-O-beta-D-glucopyranoside formononetin-7-O-glucoside ononin
kegg.compound:C10509 keggC:C10509	Ononin Formononetin 7-O-glucoside
metacyc.compound:ONONIN metacycM:ONONIN	ononin 3-(4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one formononetin 7-O-beta-glucoside formononetin 7-O-glucoside formononetin glucoside formononetin-7-O-beta-D-glucopyranoside formononetin-7-O-glucoside
keggC:M_C10509 seedM:M_cpd07395	secondary/obsolete/fantasy identifier