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CHEBI:199517 - Leptosphaerone B

ChEBI IDCHEBI:199517
ChEBI NameLeptosphaerone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O3
Net Charge0
Average Mass156.181
Monoisotopic Mass156.07864
SMILESCC1=CC(=O)[C@@](C)(O)[C@@H](O)C1
InChIInChI=1S/C8H12O3/c1-5-3-6(9)8(2,11)7(10)4-5/h3,7,10-11H,4H2,1-2H3/t7-,8+/m0/s1
InChIKeyJPANATRWCFTRDD-JGVFFNPUSA-N
Species of MetaboliteComponentSourceComments
Phaeosphaeria herpotrichoides (ncbitaxon:178154) - DOI (10.1021/np50099a034)
ChEBI Ontology
Outgoing Relation(s)
Leptosphaerone B (CHEBI:199517) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5S,6S)-5,6-dihydroxy-3,6-dimethylcyclohex-2-en-1-one
Manual XrefsDatabases
78440049ChemSpider