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CHEBI:218451 - Tolypocladone B

ChEBI IDCHEBI:218451
ChEBI NameTolypocladone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H8O4
Net Charge0
Average Mass180.159
Monoisotopic Mass180.04226
SMILESCOc1cc(/C=C/C=O)oc(=O)c1
InChIInChI=1S/C9H8O4/c1-12-8-5-7(3-2-4-10)13-9(11)6-8/h2-6H,1H3/b3-2+
InChIKeyQSHKTJIBMQTAFE-NSCUHMNNSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (28276758)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladone B (CHEBI:218451) is a pyranone (CHEBI:37963)
IUPAC Name 
(E)-3-(4-methoxy-6-oxopyran-2-yl)prop-2-enal
Manual XrefsDatabases
78435812ChemSpider