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CHEBI:65981 - GTRI-02

ChEBI IDCHEBI:65981
ChEBI NameGTRI-02
Stars
DefinitionA member of the class tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by an acetyl, two hydroxy and methyl groups at positions 7, 3, 6 and 8 respectively. It isolated from Micromonospora and acts as an inhibitor of lipid peroxidation.
Last Modified7 November 2013
DownloadsMolfile
FormulaC13H14O4
Net Charge0
Average Mass234.251
Monoisotopic Mass234.08921
SMILESCC(=O)c1c(O)cc2c(c1C)C(=O)CC(O)C2
InChIInChI=1S/C13H14O4/c1-6-12(7(2)14)10(16)4-8-3-9(15)5-11(17)13(6)8/h4,9,15-16H,3,5H2,1-2H3
InChIKeyODXUROYZJHIZHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (9917009) Strain: SA246
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
GTRI-02 (CHEBI:65981) has role antioxidant (CHEBI:22586)
GTRI-02 (CHEBI:65981) has role metabolite (CHEBI:25212)
GTRI-02 (CHEBI:65981) is a aromatic ketone (CHEBI:76224)
GTRI-02 (CHEBI:65981) is a cyclic ketone (CHEBI:3992)
GTRI-02 (CHEBI:65981) is a methyl ketone (CHEBI:51867)
GTRI-02 (CHEBI:65981) is a phenols (CHEBI:33853)
GTRI-02 (CHEBI:65981) is a secondary alcohol (CHEBI:35681)
GTRI-02 (CHEBI:65981) is a tetralins (CHEBI:36786)
IUPAC Name 
7-acetyl-3,6-dihydroxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one
Synonym  Source
7-acetyl-3,6-dihydroxy-8-methyl-tetraloneChEBI
Registry NumbersSources
Reaxys:8151628Reaxys
Citations