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CHEBI:215599 - Phomoxide

ChEBI IDCHEBI:215599
ChEBI NamePhomoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCCC/C=C/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@H]2[C@@H]1O
InChIInChI=1S/C14H20O4/c1-2-3-4-5-6-7-9-10(8-15)12(17)14-13(18-14)11(9)16/h4-7,11-17H,2-3,8H2,1H3/b5-4+,7-6+/t11-,12+,13+,14-/m1/s1
InChIKeyBMXTZUMHRVMCPL-FVFJZKDHSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - DOI (10.1016/s0031-9422(03)00272-3)
ChEBI Ontology
Outgoing Relation(s)
Phomoxide (CHEBI:215599) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1S,2R,5S,6R)-3-[(1E,3E)-hepta-1,3-dienyl]-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol
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9486273ChemSpider