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ononin

PropertiesImage
MNX_IDMNXM733814 Image of MNXM733814
referencechebi:7775
formulaC22H22O9
global charge0
mol weight430.409
InChIKeyMGJLSBDCWOSMHL-MIUGBVLSSA-N
InChIInChI=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
SMILESCOC1=CC=C(C2=COC3=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM733814
SMILES (mnx)[CH3:1][O:28][C:12]1=[CH:5][CH:3]=[C:11]([C:15]2=[CH:10][O:29][C:16]3=[C:14]([CH:7]=[CH:6][C:13]([O:30][C@H:22]4[C@H:21]([OH:27])[C@@H:20]([OH:26])[C@H:19]([OH:25])[C@@H:17]([CH2:9][OH:23])[O:31]4)=[CH:8]3)[C:18]2=[O:24])[CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:7775
chebi:7775
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		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
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		Formononetin glucoside

seed.compound:cpd07395
seedM:cpd07395
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		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
hmdb:HMDB0033987
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		Ononin
3-(4-methoxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
4'-Methoxyisoflavone-7-O-beta-D-glucopyranoside
Calycosin-7-O-beta-D-glucoside
Formononetin 7-O-beta-D-glucopyranoside
Formononetin 7-O-glucoside
Formononetin glucoside
Formononetin-7-O-beta-D-glucopyranoside
Formononetin-7-glucoside
Ononin?
Ononoside
ononin

kegg.compound:C10509
keggC:C10509
lipidmaps:LMPK12050014
lipidmapsM:LMPK12050014
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		Ononin
Formononetin 7-O-glucoside

metacyc.compound:ONONIN
metacycM:ONONIN
MGJLSBDCWOSMHL-MIUGBVLSSA-N 		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

hmdb:HMDB33987
keggC:M_C10509
seedM:M_cpd07395 		secondary/obsolete/fantasy identifier