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myricetin 3-O-beta-D-glucoside

MNXM62791 is deprecated and here replaced by MNXM1370599
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370599 Image of MNXM1370599
referencechebi:144444
formulaC21H19O13
global charge-1
mol weight479.37
InChIKeyFOHXFLPXBUAOJM-LIBJPBHASA-M
InChIInChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/p-1/t12-,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(O)=C(O)C(O)=C2)OC2=C1C(O)=CC([O-])=C2
MNX internals
InChI (mnx)InChI=1/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1 Image of MNXM1370599
SMILES (mnx)[CH:1]1=[C:6]([C:19]2=[C:20]([O:34][C@H:21]3[C@H:18]([OH:31])[C@@H:17]([OH:30])[C@H:15]([OH:28])[C@@H:12]([CH2:5][OH:22])[O:33]3)[C:16](=[O:29])[C:13]3=[C:8]([OH:24])[CH:3]=[C:7]([OH:23])[CH:4]=[C:11]3[O:32]2)[CH:2]=[C:10]([OH:26])[C:14]([OH:27])=[C:9]1[OH:25]
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:144444
chebi:144444
FOHXFLPXBUAOJM-LIBJPBHASA-M 		myricetin 3-O-beta-D-glucoside
3-(beta-D-glucopyranosyloxy)-5-hydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-7-olate
myricetin 3-O-beta-D-glucopyranoside(1-)

lipidmaps:LMPK12112420
lipidmapsM:LMPK12112420
FOHXFLPXBUAOJM-LIBJPBHASA-N 		Myricetin 3-glucoside
hmdb:HMDB0303631
FOHXFLPXBUAOJM-LIBJPBHASA-N 		Myricetin 3-glucoside
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
5,7-dihydroxy-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2-(3,4,5-trihydroxyphenyl)chromen-4-one

CHEBI:75813
chebi:75813
FOHXFLPXBUAOJM-LIBJPBHASA-N 		myricetin 3-O-beta-D-glucopyranoside
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl beta-D-glucopyranoside

metacyc.compound:CPD-14843
metacycM:CPD-14843
seed.compound:cpd34451
seedM:cpd34451
FOHXFLPXBUAOJM-LIBJPBHASA-L
FOHXFLPXBUAOJM-LIBJPBHASA-N 		myricetin 3-O-beta-D-glucoside

seedM:M_cpd34451 		secondary/obsolete/fantasy identifier