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2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside

PropertiesImage
MNX_IDMNXM4767 Image of MNXM4767
referencechebi:77622
formulaC21H21O11
global charge-1
mol weight449.388
InChIKeyGZTXEEPKLNRIEL-LYXDKPSQSA-M
InChIInChI=1S/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/p-1/b4-2+/t16-,18-,19+,20-,21-/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C(O)=C1)C1=C(O)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1[O-]
MNX internals
InChI (mnx)InChI=1/C21H22O11/c22-8-16-18(28)19(29)20(30)21(32-16)31-10-6-14(26)17(15(27)7-10)12(24)4-2-9-1-3-11(23)13(25)5-9/h1-7,16,18-23,25-30H,8H2/b4-2+/t16-,18-,19+,20-,21-/m1/s1 Image of MNXM4767
SMILES (mnx)[CH:1]1=[CH:3][C:11]([OH:23])=[C:13]([OH:25])[CH:5]=[C:9]1/[CH:2]=[CH:4]/[C:12]([C:17]1=[C:14]([OH:26])[CH:6]=[C:10]([O:31][C@H:21]2[C@H:20]([OH:30])[C@@H:19]([OH:29])[C@H:18]([OH:28])[C@@H:16]([CH2:8][OH:22])[O:32]2)[CH:7]=[C:15]1[OH:27])=[O:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77622
chebi:77622
GZTXEEPKLNRIEL-LYXDKPSQSA-M 		2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside
2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside(1-)
2-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5-(beta-D-glucopyranosyloxy)-3-hydroxyphenolate

kegg.compound:C16408
keggC:C16408
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside
2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside
PHC 4'-O-glucoside

metacyc.compound:CPD-8633
metacycM:CPD-8633
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside

CHEBI:66904
chebi:66904
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside
2',3,4,4',6'-Pentahydroxychalcone 4'-O-glucoside
4-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-3,5-dihydroxyphenyl beta-D-glucopyranoside
PHC 4'-O-glucoside

vmhM:phc4og
vmhmetabolite:phc4og
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		2,3,4,4,6-Peptahydroxychalcone 4-O-glucoside

seed.compound:cpd15114
seedM:cpd15114
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		PHC 4'-O-glucoside
2',3,4,4',6'-Pentahydroxychalcone 4'-O-beta-D-glucoside
2',3,4,4',6'-Peptahydroxychalcone 4'-O-glucoside

seed.compound:cpd25371
seedM:cpd25371
GZTXEEPKLNRIEL-LYXDKPSQSA-N 		pentahydroxychalcone 4'-O-glucoside
2',3,4,4',6'-pentahydroxychalcone 4'-O-beta-D-glucoside

keggC:M_C16408
seedM:M_cpd15114
seedM:M_cpd25371
vmhM:M_phc4og 		secondary/obsolete/fantasy identifier