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CHEBI:185664 - Aliarin

ChEBI IDCHEBI:185664
ChEBI NameAliarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O8
Net Charge0
Average Mass416.426
Monoisotopic Mass416.14712
SMILESCOc1c(O)cc2oc(-c3ccc(O)c(CCC(C)CO)c3)c(OC)c(=O)c2c1O
InChIInChI=1S/C22H24O8/c1-11(10-23)4-5-12-8-13(6-7-14(12)24)20-22(29-3)19(27)17-16(30-20)9-15(25)21(28-2)18(17)26/h6-9,11,23-26H,4-5,10H2,1-3H3
InChIKeyVLVYYPSDJMDDBM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Aliarin (CHEBI:185664) is a flavones (CHEBI:24043)
IUPAC Name 
5,7-dihydroxy-2-[4-hydroxy-3-(4-hydroxy-3-methylbutyl)phenyl]-3,6-dimethoxychromen-4-one
Manual XrefsDatabases
33823804ChemSpider