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CHEBI:204941 - Phomoxydiene A

Default Structure
ChEBI IDCHEBI:204941
ChEBI NamePhomoxydiene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O6
Net Charge0
Average Mass306.314
Monoisotopic Mass306.11034
SMILESCC(=O)O[C@H]1C=CC(=O)O[C@H]1[C@H]1[C@H]2C=CC=C[C@](O)(O2)[C@H]1C
InChIInChI=1S/C16H18O6/c1-9-14(11-5-3-4-8-16(9,19)22-11)15-12(20-10(2)17)6-7-13(18)21-15/h3-9,11-12,14-15,19H,1-2H3/t9-,11+,12-,14+,15+,16-/m0/s1
InChIKeyNCXFWJLAEBFDMA-OBKPYVCOSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2015.10.015)
ChEBI Ontology
Outgoing Relation(s)
Phomoxydiene A (CHEBI:204941) is a pyranone (CHEBI:37963)
IUPAC Name 
[(2S,3S)-2-[(1S,6R,7R,8S)-1-hydroxy-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
Manual XrefsDatabases
78437220ChemSpider