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CHEBI:207564 - 5,6-Epoxy-phomol

ChEBI IDCHEBI:207564
ChEBI Name5,6-Epoxy-phomol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O8
Net Charge0
Average Mass428.522
Monoisotopic Mass428.24102
SMILESCCCCC[C@H]1OC(=O)C[C@@H](O)[C@H](O)[C@H]2O[C@@H]2[C@H](O)[C@@H]1OC(=O)/C(C)=C/C(C)CC
InChIInChI=1S/C22H36O8/c1-5-7-8-9-15-19(30-22(27)13(4)10-12(3)6-2)18(26)21-20(29-21)17(25)14(23)11-16(24)28-15/h10,12,14-15,17-21,23,25-26H,5-9,11H2,1-4H3/b13-10+/t12?,14-,15-,17+,18-,19-,20-,21-/m1/s1
InChIKeyCIIIGIPXHNTRJG-OLIGEFEQSA-N
Species of MetaboliteComponentSourceComments
Hypoxylon fuscum (ncbitaxon:109372) - PubMed (31216579)
ChEBI Ontology
Outgoing Relation(s)
5,6-Epoxy-phomol (CHEBI:207564) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(1R,2S,3S,4R,8R,9S,10R)-2,8,9-trihydroxy-6-oxo-4-pentyl-5,11-dioxabicyclo[8.1.0]undecan-3-yl] (E)-2,4-dimethylhex-2-enoate