CHEBI:208922 - Phomotenone

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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 Phomotenone
ChEBI ID CHEBI:208922
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H18O2
Net Charge 0
Average Mass 182.263
Monoisotopic Mass 182.13068
InChI InChI=1S/C11H18O2/c1-4-5-9(12)11-7(2)6-10(13)8(11)3/h7,9,12H,4-6H2,1-3H3/t7-,9+/m1/s1
InChIKey NMGKVGASSWZGPX-APPZFPTMSA-N
SMILES O=C1C(=C([C@@H](O)CCC)[C@@H](C1)C)C
Metabolite of Species Details
Phomopsisspecies (NCBI:txid1715245) See: DOI
ChEBI Ontology
Outgoing Phomotenone (CHEBI:208922) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(4R)-3-[(1S)-1-hydroxybutyl]-2,4-dimethylcyclopent-2-en-1-one
Manual Xref Database
61318982 ChemSpider
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