CHEBI:31733 - Isoshinanolone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isoshinanolone
ChEBI ID CHEBI:31733
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C11H12O3
Net Charge 0
Average Mass 192.212
Monoisotopic Mass 192.07864
InChI InChI=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
InChIKey YUPNHTWYVBHLMG-KSBSHMNSSA-N
SMILES C[C@@H]1CC(=O)c2c(O)cccc2[C@@H]1O
ChEBI Ontology
Outgoing Isoshinanolone (CHEBI:31733) is a tetralins (CHEBI:36786)
Synonym Source
Isoshinanolone KEGG COMPOUND
Manual Xrefs Databases
C00025312 KNApSAcK
C12343 KEGG COMPOUND
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Last Modified
28 July 2014