Search MNXref
 Feedback

calycosin-7-O-beta-D-glucoside

MNXM45316 is deprecated and here replaced by MNXM736362
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM736362 Image of MNXM736362
referencechebi:86512
formulaC22H22O10
global charge0
mol weight446.408
InChIKeyWACBUPFEGWUGPB-MIUGBVLSSA-N
InChIInChI=1S/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1
SMILESCOC1=C(O)C=C(C2=COC3=C(C=CC(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C3)C2=O)C=C1
MNX internals
InChI (mnx)InChI=1/C22H22O10/c1-29-15-5-2-10(6-14(15)24)13-9-30-16-7-11(3-4-12(16)18(13)25)31-22-21(28)20(27)19(26)17(8-23)32-22/h2-7,9,17,19-24,26-28H,8H2,1H3/t17-,19-,20+,21-,22-/m1/s1 Image of MNXM736362
SMILES (mnx)[CH3:1][O:29][C:15]1=[C:14]([OH:24])[CH:6]=[C:10]([C:13]2=[CH:9][O:30][C:16]3=[C:12]([CH:4]=[CH:3][C:11]([O:31][C@H:22]4[C@H:21]([OH:28])[C@@H:20]([OH:27])[C@H:19]([OH:26])[C@@H:17]([CH2:8][OH:23])[O:32]4)=[CH:7]3)[C:18]2=[O:25])[CH:2]=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:86512
chebi:86512
WACBUPFEGWUGPB-MIUGBVLSSA-N 		calycosin-7-O-beta-D-glucoside
3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside

seed.compound:cpd31776
seedM:cpd31776
WACBUPFEGWUGPB-MIUGBVLSSA-N 		3'-hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside
calycosin 7-O-glucoside
calycosin-7-O-beta-D-glucopyranoside

lipidmaps:LMPK12050045
lipidmapsM:LMPK12050045
WACBUPFEGWUGPB-MIUGBVLSSA-N 		Calycosin 7-O-glucoside
7-(beta-D-Glucopyranosyloxy)-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one

metacyc.compound:CPD-17611
metacycM:CPD-17611
WACBUPFEGWUGPB-MIUGBVLSSA-N 		calycosin 7-O-glucoside
3'-hydroxy-4'-methoxyisoflavone-7-O-beta-D-glucoside
calycosin-7-O-beta-D-glucopyranoside

seedM:M_cpd31776 		secondary/obsolete/fantasy identifier