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kaempferol 3-O-beta-D-galactoside

PropertiesImage
MNX_IDMNXM738437 Image of MNXM738437
referencechebi:76104
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyJPUKWEQWGBDDQB-DTGCRPNFSA-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=CC([O-])=CC(O)=C12
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 MNXM738437
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)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76104
chebi:76104
JPUKWEQWGBDDQB-DTGCRPNFSA-M 		kaempferol 3-O-beta-D-galactoside
3-(beta-D-galactopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-olate
kaempferol 3-O-beta-D-galactoside(1-)

sabiork.compound:14657
sabiorkM:14657
JPUKWEQWGBDDQB-DTGCRPNFSA-N 		Kaempferol 3-O-beta-D-galactoside
Trifolin

kegg.compound:C12626
keggC:C12626
JPUKWEQWGBDDQB-DTGCRPNFSA-N 		Kaempferol-3-O-galactoside
Kaempferol 3-O-beta-D-galactoside
Trifolin

lipidmaps:LMPK12111663
lipidmapsM:LMPK12111663
JPUKWEQWGBDDQB-DTGCRPNFSA-N 		Trifolin
hmdb:HMDB0030864
JPUKWEQWGBDDQB-DTGCRPNFSA-N 		Trifolin
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
Kaempferol 3-O-D-galactoside
Kaempferol 3-O-b-D-galactopyranoside
Kaempferol 3-O-b-D-galactoside
Kaempferol 3-O-beta-D-galactopyranoside
Kaempferol 3-O-beta-D-galactoside
Kaempferol 3-O-beta-galactoside
Kaempferol 3-O-galactopyranoside
Kaempferol 3-O-galactoside
Kaempferol 3-beta-D-galactopyranoside
Kaempferol 3-beta-D-galactoside
Kaempferol 3-galactoside
Kaempferol-3-O-D-galactopyranoside
Kaempferol-3-O-galactoside
Trifoliin
Trifolioside
trifolin

seed.compound:cpd09257
seedM:cpd09257
JPUKWEQWGBDDQB-DTGCRPNFSA-L 		Trifolin
Kaempferol 3-O-beta-D-galactoside
Kaempferol-3-O-galactoside
kaempferol 3-O-beta-D-galactoside
trifolin

CHEBI:31742
chebi:31742
JPUKWEQWGBDDQB-DTGCRPNFSA-N 		kaempferol 3-O-beta-D-galactoside
5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside
Kaempferol 3-O-beta-D-galactoside
Trifolin
Trifolioside

metacyc.compound:CPD-7260
metacycM:CPD-7260
JPUKWEQWGBDDQB-DTGCRPNFSA-M 		kaempferol 3-O-beta-D-galactoside
trifolin

hmdb:HMDB30864
keggC:M_C12626
seedM:M_cpd09257 		secondary/obsolete/fantasy identifier