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CHEBI:209508 - (R)-pyrenocine B

ChEBI IDCHEBI:209508
ChEBI Name(R)-pyrenocine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O5
Net Charge0
Average Mass226.228
Monoisotopic Mass226.08412
SMILESCOc1cc(=O)oc(C)c1C(=O)C[C@@H](C)O
InChIInChI=1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3/t6-/m1/s1
InChIKeyNXDGLHJHHJJTSZ-ZCFIWIBFSA-N
Species of MetaboliteComponentSourceComments
Penicillium camemberti (ncbitaxon:5075) - DOI (10.6023/cjoc201803017)
ChEBI Ontology
Outgoing Relation(s)
(R)-pyrenocine B (CHEBI:209508) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
5-[(3R)-3-hydroxybutanoyl]-4-methoxy-6-methylpyran-2-one
Manual XrefsDatabases
70999816ChemSpider