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CHEBI:204761 - Annularin A

ChEBI IDCHEBI:204761
ChEBI NameAnnularin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H14O4
Net Charge0
Average Mass198.218
Monoisotopic Mass198.08921
SMILESCC[C@H](O)c1oc(=O)cc(OC)c1C
InChIInChI=1S/C10H14O4/c1-4-7(11)10-6(2)8(13-3)5-9(12)14-10/h5,7,11H,4H2,1-3H3/t7-/m0/s1
InChIKeyPMAGWBXRCQWPNQ-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Annulusmagnus triseptatus (ncbitaxon:293432) - PubMed (14575427)
ChEBI Ontology
Outgoing Relation(s)
Annularin A (CHEBI:204761) is a pyranone (CHEBI:37963)
IUPAC Name 
6-[(1S)-1-hydroxypropyl]-4-methoxy-5-methylpyran-2-one
Manual XrefsDatabases
552905ChemSpider