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CHEBI:200425 - Epoxysorbicillinol

ChEBI IDCHEBI:200425
ChEBI NameEpoxysorbicillinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O5
Net Charge0
Average Mass264.277
Monoisotopic Mass264.09977
SMILESC/C=C/C=C/C(=O)[C@@]12O[C@@H]1[C@](C)(O)C(O)=C(C)C2=O
InChIInChI=1S/C14H16O5/c1-4-5-6-7-9(15)14-11(17)8(2)10(16)13(3,18)12(14)19-14/h4-7,12,16,18H,1-3H3/b5-4+,7-6+/t12-,13-,14+/m1/s1
InChIKeyZQKLVOTXLJWFAG-RWILMJHPSA-N
Species of MetaboliteComponentSourceComments
Trichoderma longibrachiatum (ncbitaxon:5548) - DOI (10.1021/jo9808122)
ChEBI Ontology
Outgoing Relation(s)
Epoxysorbicillinol (CHEBI:200425) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,5S,6R)-1-[(2E,4E)-hexa-2,4-dienoyl]-4,5-dihydroxy-3,5-dimethyl-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
8667238ChemSpider