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CHEBI:31733 - Isoshinanolone

Default Structure
ChEBI IDCHEBI:31733
ChEBI NameIsoshinanolone
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H12O3
Net Charge0
Average Mass192.214
Monoisotopic Mass192.07864
SMILESC[C@@H]1CC(=O)c2c(O)cccc2[C@@H]1O
InChIInChI=1S/C11H12O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,11-12,14H,5H2,1H3/t6-,11-/m1/s1
InChIKeyYUPNHTWYVBHLMG-KSBSHMNSSA-N
ChEBI Ontology
Outgoing Relation(s)
Isoshinanolone (CHEBI:31733) is a tetralins (CHEBI:36786)
Synonym  Source
IsoshinanoloneKEGG COMPOUND
Manual XrefsDatabases
C00025312KNApSAcK
C12343KEGG COMPOUND