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CHEBI:16945 - scytalone

ChEBI IDCHEBI:16945
ChEBI Namescytalone
Stars
DefinitionA cyclic ketone that is 3,4-dihydronaphthalen-1(2H)-one substituted by hydroxy groups at positions 3, 6, and 8.
Secondary ChEBI IDsCHEBI:9064, CHEBI:15069, CHEBI:26615
Last Modified31 July 2015
DownloadsMolfile
FormulaC10H10O4
Net Charge0
Average Mass194.186
Monoisotopic Mass194.05791
SMILESO=C1CC(O)Cc2cc(O)cc(O)c21
InChIInChI=1S/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2
InChIKeyRTWVXIIKUFSDJB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
scytalone (CHEBI:16945) has parent hydride tetralin (CHEBI:35008)
scytalone (CHEBI:16945) is a aromatic ketone (CHEBI:76224)
scytalone (CHEBI:16945) is a cyclic ketone (CHEBI:3992)
scytalone (CHEBI:16945) is a phenols (CHEBI:33853)
scytalone (CHEBI:16945) is a β-hydroxy ketone (CHEBI:55380)
IUPAC Name 
3,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one
Synonyms  Source
ScytaloneKEGG COMPOUND
3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenoneKEGG COMPOUND
UniProt Name  Source
scytaloneUniProt
Manual XrefsDatabases
C00779KEGG COMPOUND
Registry NumbersSources
Reaxys:2050731Reaxys
CAS:49598-85-8KEGG COMPOUND
CAS:49598-85-8ChemIDplus