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kaempferol 7-O-beta-D-glucoside

MNXM18803 is deprecated and here replaced by MNXM732035
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM732035 Image of MNXM732035
referencechebi:169944
formulaC21H19O11
global charge-1
mol weight447.372
InChIKeyYPWHZCPMOQGCDQ-HMGRVEAOSA-M
InChIInChI=1S/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/p-1/t13-,15-,17+,19-,21-/m1/s1
SMILESO=C1C(O)=C(C2=CC=C(O)C=C2)OC2=C1C([O-])=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2
MNX internals
InChI (mnx)InChI=1/C21H20O11/c22-7-13-15(25)17(27)19(29)21(32-13)30-10-5-11(24)14-12(6-10)31-20(18(28)16(14)26)8-1-3-9(23)4-2-8/h1-6,13,15,17,19,21-25,27-29H,7H2/t13-,15-,17+,19-,21-/m1/s1 Image of MNXM732035
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:23])=[CH:4][CH:2]=[C:8]1[C:20]1=[C:18]([OH:28])[C:16](=[O:26])[C:14]2=[C:11]([OH:24])[CH:5]=[C:10]([O:30][C@H:21]3[C@H:19]([OH:29])[C@@H:17]([OH:27])[C@H:15]([OH:25])[C@@H:13]([CH2:7][OH:22])[O:32]3)[CH:6]=[C:12]2[O:31]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169944
chebi:169944
YPWHZCPMOQGCDQ-HMGRVEAOSA-M 		kaempferol 7-O-beta-D-glucoside
kaempferol 7-O-beta-D-glucoside(1-)
hmdb:HMDB0303599
YPWHZCPMOQGCDQ-HMGRVEAOSA-N 		Kaempferol 7-glucoside
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
3,5-dihydroxy-2-(4-hydroxyphenyl)-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one
Kaempferol 7-O-b-D-glucopyranoside
Kaempferol 7-O-beta-D-glucopyranoside
Kaempferol 7-O-beta-glucoside
Kaempferol 7-O-glucoside

CHEBI:75790
chebi:75790
YPWHZCPMOQGCDQ-HMGRVEAOSA-N 		kaempferol 7-O-beta-D-glucopyranoside
3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside

metacyc.compound:CPD-8007
metacycM:CPD-8007
seed.compound:cpd25004
seedM:cpd25004
YPWHZCPMOQGCDQ-HMGRVEAOSA-M 		kaempferol 7-O-glucoside

seedM:M_cpd25004 		secondary/obsolete/fantasy identifier