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CHEBI:199169 - Illudin J

ChEBI IDCHEBI:199169
ChEBI NameIlludin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@H]1C(=O)C2=C(C[C@](C)(CO)C2)[C@@](C)(O)C12CC2
InChIInChI=1S/C15H22O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h9,16,18H,4-8H2,1-3H3/t9-,13+,14+/m0/s1
InChIKeyYGFFPRMOBZCYOE-CUOATXAZSA-N
Species of MetaboliteComponentSourceComments
Coprinopsis episcopalis (ncbitaxon:210012) - PubMed (14759528)
ChEBI Ontology
Outgoing Relation(s)
Illudin J (CHEBI:199169) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(2S,5R,7S)-7-hydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[3,5-dihydro-1H-indene-6,1'-cyclopropane]-4-one
Manual XrefsDatabases
78440034ChemSpider