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CHEBI:209562 - Phomopsiketone D

ChEBI IDCHEBI:209562
ChEBI NamePhomopsiketone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H20O4
Net Charge0
Average Mass240.299
Monoisotopic Mass240.13616
SMILESCCC[C@H]1CC2=C([C@@H](OC)O1)[C@H](O)CCC2=O
InChIInChI=1S/C13H20O4/c1-3-4-8-7-9-10(14)5-6-11(15)12(9)13(16-2)17-8/h8,11,13,15H,3-7H2,1-2H3/t8-,11+,13-/m0/s1
InChIKeyBFGYKUOKRLHHFV-KDDOJWQBSA-N
Species of MetaboliteComponentSourceComments
Letendraea (ncbitaxon:147565) - PubMed (31878313)
ChEBI Ontology
Outgoing Relation(s)
Phomopsiketone D (CHEBI:209562) is a benzopyran (CHEBI:22727)
IUPAC Name 
(1S,3S,8R)-8-hydroxy-1-methoxy-3-propyl-1,3,4,6,7,8-hexahydroisochromen-5-one
Manual XrefsDatabases
81367015ChemSpider