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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:grasshopper ketone
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Accession:CHEBI:177873 term browser browse the term
Definition:A member of the class of allenes that is cyclohexane substituted by 3-oxobut-1-en-1-ylidene, methyl, hydroxy, hydroxy, methyl and methyl groups at positions 1, 2, 2, 4, 6 and 6, respectively (the 2R,3R,4S-stereoisomer). It is isolated from the grasshopper, Romalea microptera.
Synonyms:exact_synonym: (3Ra)-4-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one
 related_synonym: (3M)-4-[(2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]but-3-en-2-one;   Formula=C13H20O3;   InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6-,10-,13+/m0/s1;   InChIKey=QMXLZUOHZGYGDY-ANSXDHORSA-N;   SMILES=[H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(C)=O
 xref: AGR:IND20419195;   AGR:IND20511662;   CAS:41703-38-2;   Chemspider:10200510;   FooDB:FDB013523;   KNApSAcK:C00031831;   MetaCyc:CPD-7201;   PMID:12926890;   PMID:15132542;   PMID:22364828;   PMID:22530677;   PMID:24761641;   PMID:24946547;   PMID:27608302;   PMID:29090551;   PMID:29600618;   PMID:30132649;   PMID:30982318

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  CHEBI ontology 0
    role 0
      application 0
        anti-inflammatory agent 0
          grasshopper ketone 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      alpha,beta-unsaturated ketone 0
                                        enone 0
                                          grasshopper ketone 0
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