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CHEBI:185001 - Oxyayanin B 6-glucoside

ChEBI IDCHEBI:185001
ChEBI NameOxyayanin B 6-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O13
Net Charge0
Average Mass522.459
Monoisotopic Mass522.13734
SMILESCOc1ccc(-c2oc3cc(OC)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)c(O)c3c(=O)c2OC)cc1O
InChIInChI=1S/C24H26O13/c1-32-11-5-4-9(6-10(11)26)21-23(34-3)18(29)15-12(35-21)7-13(33-2)22(17(15)28)37-24-20(31)19(30)16(27)14(8-25)36-24/h4-7,14,16,19-20,24-28,30-31H,8H2,1-3H3/t14?,16-,19+,20?,24+/m1/s1
InChIKeyALZOYBHSLCQAQY-MEKVGDFYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Oxyayanin B 6-glucoside (CHEBI:185001) is a flavonoids (CHEBI:72544)
Oxyayanin B 6-glucoside (CHEBI:185001) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-6-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12112936LIPID MAPS
24845533ChemSpider