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CHEBI:184956 - 5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside

ChEBI IDCHEBI:184956
ChEBI Name5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O12
Net Charge0
Average Mass492.433
Monoisotopic Mass492.12678
SMILESCOc1cc2oc(-c3c(O)cccc3O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)cc(=O)c2c(O)c1OC
InChIInChI=1S/C23H24O12/c1-31-14-7-13-17(19(28)22(14)32-2)10(26)6-12(33-13)16-9(25)4-3-5-11(16)34-23-21(30)20(29)18(27)15(8-24)35-23/h3-7,15,18,20-21,23-25,27-30H,8H2,1-2H3/t15?,18-,20+,21?,23-/m1/s1
InChIKeyRAHSMXDAFMQQCL-ZVIVNLKOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside (CHEBI:184956) is a ether (CHEBI:25698)
5,2',6'-Trihydroxy-6,7-dimethoxyflavone 2'-glucoside (CHEBI:184956) is a flavonoids (CHEBI:72544)
IUPAC Name 
5-hydroxy-2-[2-hydroxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-6,7-dimethoxychromen-4-one
Manual XrefsDatabases
24844023ChemSpider
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