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CHEBI:220390 - 11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide

ChEBI IDCHEBI:220390
ChEBI Name11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILESC=C[C@H]1CC(C)(C)CC1=C1CO[C@H]2OC(=O)C[C@@H]12
InChIInChI=1S/C15H20O3/c1-4-9-6-15(2,3)7-11(9)12-8-17-14-10(12)5-13(16)18-14/h4,9-10,14H,1,5-8H2,2-3H3/t9-,10-,14-/m0/s1
InChIKeyPNOOHEYPHBCQQK-BHDSKKPTSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum truncatum (ncbitaxon:5467) - PubMed (27892688)
ChEBI Ontology
Outgoing Relation(s)
11,12-epoxy-5,6-seco-1,6(13)-tremuladien-5,12-olide (CHEBI:220390) is a furofuran (CHEBI:47790)
IUPAC Name 
(3aS,6aS)-3-[(2R)-2-ethenyl-4,4-dimethylcyclopentylidene]-4,6a-dihydro-3aH-uro[2,3-b]uran-5-one
Manual XrefsDatabases
78439550ChemSpider