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CHEBI:203435 - Rezishanone D

ChEBI IDCHEBI:203435
ChEBI NameRezishanone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H26O5
Net Charge0
Average Mass322.401
Monoisotopic Mass322.17802
SMILESC/C=C/CCC(=O)C1=C(O)[C@]2(C)C(=O)[C@@](C)(O)[C@H]1CC2OCC
InChIInChI=1S/C18H26O5/c1-5-7-8-9-12(19)14-11-10-13(23-6-2)17(3,15(14)20)16(21)18(11,4)22/h5,7,11,13,20,22H,6,8-10H2,1-4H3/b7-5+/t11-,13?,17+,18-/m0/s1
InChIKeyYIEIUNLELXQYRP-BDLBYSBYSA-N
Species of MetaboliteComponentSourceComments
Penicillium chrysogenum (ncbitaxon:5076) - PubMed (15974609)
ChEBI Ontology
Outgoing Relation(s)
Rezishanone D (CHEBI:203435) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3S,4S)-7-ethoxy-5-[(E)-hex-4-enoyl]-3,6-dihydroxy-1,3-dimethylbicyclo[2.2.2]oct-5-en-2-one
Manual XrefsDatabases
9556600ChemSpider