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2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM5947 Image of MNXM5947
referencechebi:66906
formulaC21H22O10
global charge0
mol weight434.397
InChIKeyZYUSTWOCCKABCY-JSYAWONVSA-N
InChIInChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1O
MNX internals
InChI (mnx)InChI=1/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-12-7-14(25)17(15(26)8-12)13(24)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-23,25-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1 Image of MNXM5947
SMILES (mnx)[CH:1]1=[CH:4][C:11]([OH:23])=[CH:5][CH:2]=[C:10]1/[CH:3]=[CH:6]/[C:13]([C:17]1=[C:14]([OH:25])[CH:7]=[C:12]([O:30][C@H:21]2[C@H:20]([OH:29])[C@@H:19]([OH:28])[C@H:18]([OH:27])[C@@H:16]([CH2:9][OH:22])[O:31]2)[CH:8]=[C:15]1[OH:26])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66906
chebi:66906
ZYUSTWOCCKABCY-JSYAWONVSA-N 		2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside
3,5-dihydroxy-4-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl beta-D-glucopyranoside
Chalconaringenin 4'-glucoside
THC 4'-glucoside
naringenin chalcone 4'-O-glucoside

kegg.compound:C16407
keggC:C16407
ZYUSTWOCCKABCY-JSYAWONVSA-N 		2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside
2',4,4',6'-Tetrahydroxychalcone 4'-O-beta-D-glucoside
Chalconaringenin 4'-glucoside
THC 4'-glucoside

CHEBI:77978
chebi:77978
ZYUSTWOCCKABCY-JSYAWONVSA-M 		2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside(1-)
5-(beta-Dglucopyranosyloxy)-3-hydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenolate

metacyc.compound:CPD-8632
metacycM:CPD-8632
ZYUSTWOCCKABCY-JSYAWONVSA-N 		2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside
Chalconaringenin 4'-glucoside
THC 4'-glucoside
naringenin chalcone 4'-O-glucoside
tetrahydroxychalcone 4'-O-glucoside

vmhM:thcn4og
vmhmetabolite:thcn4og
ZYUSTWOCCKABCY-JSYAWONVSA-N 		2,4,4,6-Tetrahydroxychalcone 4-O-glucoside

seed.compound:cpd15113
seedM:cpd15113
ZYUSTWOCCKABCY-JSYAWONVSA-N 		THC 4'-glucoside
2',4,4',6'-Tetrahydroxychalcone 4'-O-beta-D-glucoside
2',4,4',6'-Tetrahydroxychalcone 4'-O-glucoside
Chalconaringenin 4'-glucoside

seed.compound:cpd25370
seedM:cpd25370
ZYUSTWOCCKABCY-JSYAWONVSA-N 		naringenin chalcone 4'-O-glucoside
2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside
tetrahydroxychalcone 4'-O-glucoside

keggC:M_C16407
seedM:M_cpd15113
seedM:M_cpd25370
vmhM:M_thcn4og 		secondary/obsolete/fantasy identifier