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CHEBI:217655 - Penitropone

ChEBI IDCHEBI:217655
ChEBI NamePenitropone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCOC1=CC(=O)C(C)=C2C[C@H](C)OC[C@]12O
InChIInChI=1S/C12H16O4/c1-7-4-9-8(2)10(13)5-11(15-3)12(9,14)6-16-7/h5,7,14H,4,6H2,1-3H3/t7-,12+/m0/s1
InChIKeyRZTNCKRWHWUGFG-JVXZTZIISA-N
Species of MetaboliteComponentSourceComments
Penicillium tropicum (ncbitaxon:228413) - DOI (10.1016/j.tetlet.2016.05.095)
ChEBI Ontology
Outgoing Relation(s)
Penitropone (CHEBI:217655) is a benzopyran (CHEBI:22727)
IUPAC Name 
(3S,8aS)-8a-hydroxy-8-methoxy-3,5-dimethyl-3,4-dihydro-1H-isochromen-6-one
Manual XrefsDatabases
78438665ChemSpider