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CHEBI:202537 - Phomolide B

ChEBI IDCHEBI:202537
ChEBI NamePhomolide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O4
Net Charge0
Average Mass226.272
Monoisotopic Mass226.12051
SMILESCCC[C@H]1C[C@H]2O[C@H]2/C=C\[C@@H](O)CC(=O)O1
InChIInChI=1S/C12H18O4/c1-2-3-9-7-11-10(16-11)5-4-8(13)6-12(14)15-9/h4-5,8-11,13H,2-3,6-7H2,1H3/b5-4-/t8-,9+,10+,11-/m1/s1
InChIKeyVHLQBMDWATUSGI-ZUPRRRNMSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (18503206)
ChEBI Ontology
Outgoing Relation(s)
Phomolide B (CHEBI:202537) is a lactone (CHEBI:25000)
IUPAC Name 
(1R,3S,7S,8Z,10S)-7-hydroxy-3-propyl-4,11-dioxabicyclo[8.1.0]undec-8-en-5-one
Manual XrefsDatabases
78436886ChemSpider