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CHEBI:202456 - Phomoxydiene B

ChEBI IDCHEBI:202456
ChEBI NamePhomoxydiene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O4
Net Charge0
Average Mass250.294
Monoisotopic Mass250.12051
SMILESC[C@H]1[C@@H]([C@H](O)[C@@H]2CCC(=O)O2)[C@H]2C=CC=C[C@@H]1O2
InChIInChI=1S/C14H18O4/c1-8-9-4-2-3-5-10(17-9)13(8)14(16)11-6-7-12(15)18-11/h2-5,8-11,13-14,16H,6-7H2,1H3/t8-,9+,10-,11+,13-,14-/m1/s1
InChIKeyKKPJLDMAGFUIFJ-PNQJMIKCSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2015.10.015)
ChEBI Ontology
Outgoing Relation(s)
Phomoxydiene B (CHEBI:202456) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(5S)-5-[(S)-hydroxy-[(1S,6R,7S,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]methyl]oxolan-2-one
Manual XrefsDatabases
78436874ChemSpider