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kaempferol 3-O-beta-D-glucoside

MNXM3628 is deprecated and here replaced by MNXM1371610
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371610 Image of MNXM1371610
referencechebi:169942
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyJPUKWEQWGBDDQB-QSOFNFLRSA-M
InChIInChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/p-1/t13-,15-,17+,18-,21+/m1/s1
SMILESO=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1 Image of MNXM1371610
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:19]1=[C:20]([O:32][C@H:21]2[C@H:18]([OH:29])[C@@H:17]([OH:28])[C@H:15]([OH:26])[C@@H:13]([CH2:7][OH:22])[O:31]2)[C:16](=[O:27])[C:14]2=[C:11]([OH:25])[CH:5]=[C:10]([OH:24])[CH:6]=[C:12]2[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169942
chebi:169942
JPUKWEQWGBDDQB-QSOFNFLRSA-M 		kaempferol 3-O-beta-D-glucoside
kaempferol 3-O-beta-D-glucoside(1-)
hmdb:HMDB0037429
JPUKWEQWGBDDQB-QSOFNFLRSA-N 		Astragalin
3,4',5,7-Tetrahydroxyflavone
3,4',5,7-Tetrahydroxyflavone-3-glucoside
3-Glucosylkaempferol
3-O-b-D-Glucopyranoside
3-O-b-D-Glucopyranosyloxy-4',5,7-trihydroxyflavone
4',5,7-Trihydroxyflavone 3-beta-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl b-D-glucopyranoside
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Asragalin
Astragaline
Kaemferol 3-O-glucopyranoside
Kaempferol 3-O-b-D-glucoside
Kaempferol 3-O-beta-D-glucopyranoside
Kaempferol 3-O-beta-D-glucoside
Kaempferol 3-O-beta-glucoside
Kaempferol 3-O-glucopyranoside
Kaempferol 3-O-glucoside
Kaempferol 3-beta-D-glucopyranoside
Kaempferol 3-beta-D-glucoside
Kaempferol 3-glucoside
Kaempferol-3-D-glucoside
Kaempferol-3-O-b-glucopyranoside
Kaempferol-3-O-beta-glucopyranoside
Kaempferol-3-O-glucoside
Kaempferol-3-beta-glucopyranoside
Kaempferol-3-beta-monoglucoside
Kaempferol-3-glucoside
Kaempherol 3-O-beta-D-glucopyranoside
astragalin

lipidmaps:LMPK12111725
lipidmapsM:LMPK12111725
JPUKWEQWGBDDQB-QSOFNFLRSA-N 		Astragalin
3-(beta-D-Glucopyranosyloxy)-4?,5,7-trihydroxyflavone
Kaempferol 3-O-beta-D-glucoside
Kaempferol 3-glucoside

kegg.compound:C12249
keggC:C12249
JPUKWEQWGBDDQB-QSOFNFLRSA-N 		Kaempferol 3-O-glucoside
Astragalin
Kaempferol 3-O-beta-D-glucoside

seed.compound:cpd09028
seedM:cpd09028
JPUKWEQWGBDDQB-QSOFNFLRSA-L 		Kaempferol 3-O-glucoside
Astragalin
Kaempferol 3-O-beta-D-glucoside
astragalin
kaempferol 3-O-beta-D-glucoside
kaempferol-3-O-D-glucoside
kaempferol-3-glucoside

CHEBI:30200
chebi:30200
JPUKWEQWGBDDQB-QSOFNFLRSA-N 		kaempferol 3-O-beta-D-glucoside
3,4',5,7-Tetrahydroxyflavone-3-glucoside
3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside
Astragalin
Kaempferol 3-O-beta-D-glucoside
Kaempferol 3-O-glucoside
astragaline
kaempferol-3-O-beta-glucopyranoside

metacyc.compound:CPD1F-453
metacycM:CPD1F-453
JPUKWEQWGBDDQB-QSOFNFLRSA-M 		kaempferol 3-O-beta-D-glucoside
astragalin
kaempferol-3-O-D-glucoside
kaempferol-3-glucoside

hmdb:HMDB37429
chebi:132836
chebi:31745
keggC:M_C12249
seedM:M_cpd09028 		secondary/obsolete/fantasy identifier