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CHEBI:203991 - Phomolide A

Default Structure
ChEBI IDCHEBI:203991
ChEBI NamePhomolide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O3
Net Charge0
Average Mass208.257
Monoisotopic Mass208.10994
SMILESCCC[C@H]1C[C@H]2O[C@H]2/C=C\C=C/C(=O)O1
InChIInChI=1S/C12H16O3/c1-2-5-9-8-11-10(15-11)6-3-4-7-12(13)14-9/h3-4,6-7,9-11H,2,5,8H2,1H3/b6-3-,7-4-/t9-,10-,11+/m0/s1
InChIKeyPBTXLWGLUDWVOG-APRLWHLBSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (18503206)
ChEBI Ontology
Outgoing Relation(s)
Phomolide A (CHEBI:203991) is a enoate ester (CHEBI:51702)
IUPAC Name 
(1R,3S,6Z,8Z,10S)-3-propyl-4,11-dioxabicyclo[8.1.0]undeca-6,8-dien-5-one
Manual XrefsDatabases
78437079ChemSpider