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CHEBI:209575 - Phomopsiketone F

Default Structure
ChEBI IDCHEBI:209575
ChEBI NamePhomopsiketone F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC[C@@H](O)[C@H]1OCC2=C1[C@@H](O)CCC2=O
InChIInChI=1S/C12H18O4/c1-2-3-10(15)12-11-7(6-16-12)8(13)4-5-9(11)14/h9-10,12,14-15H,2-6H2,1H3/t9-,10+,12+/m0/s1
InChIKeyMOONIDRQMWVQGS-HOSYDEDBSA-N
Species of MetaboliteComponentSourceComments
Letendraea (ncbitaxon:147565) - PubMed (31878313)
ChEBI Ontology
Outgoing Relation(s)
Phomopsiketone F (CHEBI:209575) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(1S,7S)-7-hydroxy-1-[(1R)-1-hydroxybutyl]-3,5,6,7-tetrahydro-1H-2-benzouran-4-one
Manual XrefsDatabases
81367017ChemSpider