CHEBI:215599 - Phomoxide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Phomoxide
ChEBI ID CHEBI:215599
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C14H20O4
Net Charge 0
Average Mass 252.310
Monoisotopic Mass 252.13616
InChI InChI=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
InChIKey BMXTZUMHRVMCPL-FVFJZKDHSA-N
SMILES O1[C@H]2[C@H](O)C(/C=C/C=C/CCC)=C([C@@H]([C@@H]12)O)CO
Metabolite of Species Details
Phoma (NCBI:txid37463) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
9486273 ChemSpider
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