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CHEBI:224221 - Phomoxydiene C

ChEBI IDCHEBI:224221
ChEBI NamePhomoxydiene C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O3
Net Charge0
Average Mass230.263
Monoisotopic Mass230.09429
SMILESC[C@H]1[C@@H](/C=C2\C=CC(=O)O2)[C@H]2C=CC=C[C@@H]1O2
InChIInChI=1S/C14H14O3/c1-9-11(8-10-6-7-14(15)16-10)13-5-3-2-4-12(9)17-13/h2-9,11-13H,1H3/b10-8+/t9-,11+,12-,13+/m0/s1
InChIKeyYCZBPXQBANGRGF-DGVLQFKPSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2015.10.015)
ChEBI Ontology
Outgoing Relation(s)
Phomoxydiene C (CHEBI:224221) is a butenolide (CHEBI:50523)
IUPAC Name 
(5E)-5-[[(1S,6R,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methylidene]uran-2-one
Manual XrefsDatabases
78437742ChemSpider