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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:4-isopropenyl-7-methyloxepan-2-one
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Accession:CHEBI:50238 term browser browse the term
Definition:A epsilon-lactone that is oxepan-2-one substituted by an isoprenyl group at position 4 and a methyl group at position 7.
Synonyms:exact_synonym: 7-methyl-4-(prop-1-en-2-yl)oxepan-2-one
 related_synonym: 7-methyl-4-(1-methylethen-1-yl)oxepan-2-one;   7-methyl-4-(1-methylethenyl)oxepan-2-one;   Formula=C10H16O2;   InChI=1S/C10H16O2/c1-7(2)9-5-4-8(3)12-10(11)6-9/h8-9H,1,4-6H2,2-3H3;   InChIKey=DNWZWUWUDAGNJB-UHFFFAOYSA-N;   SMILES=CC1CCC(CC(=O)O1)C(C)=C


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          oxygen atom 0
            oxygen molecular entity 0
              organooxygen compound 0
                ether 0
                  cyclic ether 0
                    oxepane 0
                      4-isopropenyl-7-methyloxepan-2-one 0
                        (4R,7R)-4-isopropenyl-7-methyloxepan-2-one 0
                        (4S,7R)-4-isopropenyl-7-methyloxepan-2-one 0
Path 2
Term Annotations click to browse term
  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
                                  ester 0
                                    carboxylic ester 0
                                      lactone 0
                                        epsilon-lactone 0
                                          4-isopropenyl-7-methyloxepan-2-one 0
                                            (4R,7R)-4-isopropenyl-7-methyloxepan-2-one 0
                                            (4S,7R)-4-isopropenyl-7-methyloxepan-2-one 0
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