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CHEBI:212282 - Trans-homojesterone

ChEBI IDCHEBI:212282
ChEBI NameTrans-homojesterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC/C=C/C=C/C1=C(CO)[C@@H](O)[C@@H]2O[C@]2(CC=C(C)C)C1=O
InChIInChI=1S/C17H22O4/c1-4-5-6-7-12-13(10-18)14(19)16-17(21-16,15(12)20)9-8-11(2)3/h4-8,14,16,18-19H,9-10H2,1-3H3/b5-4+,7-6+/t14-,16+,17-/m1/s1
InChIKeySVKLXDWXEIAYRT-CHEIUULHSA-N
Species of MetaboliteComponentSourceComments
Helminthosporium (ncbitaxon:58127) - DOI (10.1016/j.tet.2015.12.077)
ChEBI Ontology
Outgoing Relation(s)
Trans-homojesterone (CHEBI:212282) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1S,5R,6S)-5-hydroxy-4-(hydroxymethyl)-1-(3-methylbut-2-enyl)-3-[(1E,3E)-penta-1,3-dienyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
Manual XrefsDatabases
78438544ChemSpider