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CHEBI:212820 - Pyrenocine L

ChEBI IDCHEBI:212820
ChEBI NamePyrenocine L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O6
Net Charge0
Average Mass284.308
Monoisotopic Mass284.12599
SMILESCCC[C@@H](Cc1oc(=O)cc(OC)c1CO)OC(C)=O
InChIInChI=1S/C14H20O6/c1-4-5-10(19-9(2)16)6-13-11(8-15)12(18-3)7-14(17)20-13/h7,10,15H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyWIHKAOUSEUGLJZ-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (22233864)
ChEBI Ontology
Outgoing Relation(s)
Pyrenocine L (CHEBI:212820) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S)-1-[3-(hydroxymethyl)-4-methoxy-6-oxopyran-2-yl]pentan-2-yl] acetate
Manual XrefsDatabases
31116301ChemSpider