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biochanin A 7-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM1371469 Image of MNXM1371469
referencechebi:77804
formulaC22H21O10
global charge-1
mol weight445.4
InChIKeyLFEUICHQZGNOHD-RECXWPGBSA-M
InChIInChI=1S/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/p-1/t16-,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([O-])=C3C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1 Image of MNXM1371469
SMILES (mnx)[CH3:1][O:29][C:11]1=[CH:5][CH:3]=[C:10]([C:13]2=[CH:9][O:30][C:15]3=[CH:7][C:12]([O:31][C@H:22]4[C@H:21]([OH:28])[C@@H:20]([OH:27])[C@H:19]([OH:26])[C@@H:16]([CH2:8][OH:23])[O:32]4)=[CH:6][C:14]([OH:24])=[C:17]3[C:18]2=[O:25])[CH:2]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77804
chebi:77804
LFEUICHQZGNOHD-RECXWPGBSA-M 		biochanin A 7-O-beta-D-glucoside
7-(beta-D-glucopyranosyloxy)-3-(4-methoxyphenyl)-4-oxo-4H-chromen-5-olate
biochanin A 7-O-beta-D-glucoside(1-)

lipidmaps:LMPK12050219
lipidmapsM:LMPK12050219
LFEUICHQZGNOHD-RECXWPGBSA-N 		Biochanin A 7-O-glucoside
Astroside

kegg.compound:C05376
keggC:C05376
LFEUICHQZGNOHD-RECXWPGBSA-N 		Biochanin A-beta-D-glucoside
Biochanin A 7-O-beta-D-glucoside
Sissotrin

seed.compound:cpd03184
seedM:cpd03184
LFEUICHQZGNOHD-RECXWPGBSA-N 		Biochanin A-beta-D-glucoside
Biochanin A 7-O-beta-D-glucoside
Sissotrin
biochanin A 7-O-beta-D-glucoside
biochanin A-7-O-glucoside

CHEBI:28751
chebi:28751
LFEUICHQZGNOHD-RECXWPGBSA-N 		biochanin A 7-O-beta-D-glucoside
5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside
Biochanin A 7-O-beta-D-glucoside
Biochanin A-beta-D-glucoside
Sissotrin
sissotrin

metacyc.compound:CPD-4563
metacycM:CPD-4563
LFEUICHQZGNOHD-RECXWPGBSA-N 		biochanin A-7-O-glucoside
biochanin A 7-O-beta-D-glucoside

chebi:22877
chebi:3106
keggC:M_C05376
seedM:M_cpd03184 		secondary/obsolete/fantasy identifier