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CHEBI:197164 - 3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid

Default Structure
ChEBI IDCHEBI:197164
ChEBI Name3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESC=C(C(=O)O)C1CCC2(C)C=CC(=O)C(C)=C2C1
InChIInChI=1S/C15H18O3/c1-9(14(17)18)11-4-6-15(3)7-5-13(16)10(2)12(15)8-11/h5,7,11H,1,4,6,8H2,2-3H3,(H,17,18)
InChIKeyFPCQVGOUFYTXFX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
3-Oxo-1,4,11(13)-eudesmatrien-12-oic acid (CHEBI:197164) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
2-(4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)prop-2-enoic acid
Manual XrefsDatabases
35014431ChemSpider
HMDB0037558HMDB