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CHEBI:197199 - (S)-11,12,13-Trinor-7-calamenone

ChEBI IDCHEBI:197199
ChEBI Name(S)-11,12,13-Trinor-7-calamenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O
Net Charge0
Average Mass174.243
Monoisotopic Mass174.10447
SMILESCc1ccc2c(c1)C(=O)CCC2C
InChIInChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3
InChIKeySQESYXTWWGWCFK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
(S)-11,12,13-Trinor-7-calamenone (CHEBI:197199) is a tetralins (CHEBI:36786)
IUPAC Name 
4,7-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Manual XrefsDatabases
HMDB0040823HMDB
4475869ChemSpider