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CHEBI:200840 - Phomopsinone A

ChEBI IDCHEBI:200840
ChEBI NamePhomopsinone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O4
Net Charge0
Average Mass224.256
Monoisotopic Mass224.10486
SMILESCCC[C@H]1Cc2oc(=O)cc(OC)c2CO1
InChIInChI=1S/C12H16O4/c1-3-4-8-5-11-9(7-15-8)10(14-2)6-12(13)16-11/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyMTOZXGOYXQPCBP-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Phomopsinone A (CHEBI:200840) is a pyranone (CHEBI:37963)
IUPAC Name 
(7S)-4-methoxy-7-propyl-7,8-dihydro-5H-pyrano[4,3-b]pyran-2-one
Manual XrefsDatabases
28289572ChemSpider