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CHEBI:220743 - Hydroxy-jesterone

ChEBI IDCHEBI:220743
ChEBI NameHydroxy-jesterone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC/C=C/C1=C(CO)[C@H](O)[C@H]2O[C@@]2([C@H](O)C=C(C)C)C1=O
InChIInChI=1S/C15H20O5/c1-4-5-9-10(7-16)12(18)14-15(20-14,13(9)19)11(17)6-8(2)3/h4-6,11-12,14,16-18H,7H2,1-3H3/b5-4+/t11-,12+,14-,15+/m1/s1
InChIKeyBVDWYNXYKLDKKP-LSHLVPIFSA-N
Species of MetaboliteComponentSourceComments
Pestalotiopsis jesteri (ncbitaxon:152312) - DOI (10.1016/s0031-9422(01)00021-8)
ChEBI Ontology
Outgoing Relation(s)
Hydroxy-jesterone (CHEBI:220743) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-1-[(1R)-1-hydroxy-3-methylbut-2-enyl]-3-[(E)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-3-en-2-one
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552658ChemSpider