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CHEBI:192112 - (S)-Isosclerone

ChEBI IDCHEBI:192112
ChEBI Name(S)-Isosclerone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O3
Net Charge0
Average Mass178.187
Monoisotopic Mass178.06299
SMILESO=C1CCC(O)c2cccc(O)c21
InChIInChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2
InChIKeyZXYYTDCENDYKBR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
ChEBI Ontology
Outgoing Relation(s)
(S)-Isosclerone (CHEBI:192112) is a tetralins (CHEBI:36786)
IUPAC Name 
4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
HMDB0038712HMDB
8617670ChemSpider
Registry NumbersSources
CAS:62332-73-4ChemIDplus