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CHEBI:188021 - Axillarin 7-sulfate

ChEBI IDCHEBI:188021
ChEBI NameAxillarin 7-sulfate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H14O11S
Net Charge0
Average Mass426.355
Monoisotopic Mass426.02568
SMILESCOc1c(OS(=O)(=O)O)cc2oc(-c3ccc(O)c(O)c3)c(OC)c(=O)c2c1O
InChIInChI=1S/C17H14O11S/c1-25-16-11(28-29(22,23)24)6-10-12(13(16)20)14(21)17(26-2)15(27-10)7-3-4-8(18)9(19)5-7/h3-6,18-20H,1-2H3,(H,22,23,24)
InChIKeyAYBWPCJLKMIOED-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2224)
ChEBI Ontology
Outgoing Relation(s)
Axillarin 7-sulfate (CHEBI:188021) is a ether (CHEBI:25698)
Axillarin 7-sulfate (CHEBI:188021) is a flavonoids (CHEBI:72544)
IUPAC Name 
[2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6-dimethoxy-4-oxochromen-7-yl] hydrogen sulate
Manual XrefsDatabases
LMPK12112974LIPID MAPS
4481069ChemSpider