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CHEBI:227533 - (5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid

ChEBI IDCHEBI:227533
ChEBI Name(5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O4
Net Charge0
Average Mass262.305
Monoisotopic Mass262.12051
SMILESC=C1CC[C@@H]2C[C@H]1C(=O)/C2=C/C(=O)CC(C)C(=O)O
InChIInChI=1S/C15H18O4/c1-8-3-4-10-6-12(8)14(17)13(10)7-11(16)5-9(2)15(18)19/h7,9-10,12H,1,3-6H2,2H3,(H,18,19)/b13-7+/t9?,10-,12-/m1/s1
InChIKeyOFNHMEXSPYYSRR-MJACVCCFSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis minima (ncbitaxon:45245) - DOI (10.1016/j.phytol.2011.10.002)
ChEBI Ontology
Outgoing Relation(s)
(5E)-2-methyl-5-[(1'R*,5'R*)-2-methylidene-7-oxobicyclo[3.2.1]oct-6-ylidene]-4-oxopentanoic acid (CHEBI:227533) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(5E)-2-methyl-5-[(1R,5R)-2-methylidene-7-oxo-6-bicyclo[3.2.1]octanylidene]-4-oxopentanoic acid
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29214512ChemSpider