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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:Bakkenolide C
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Accession:CHEBI:175446 term browser browse the term
Synonyms:exact_synonym: [(2R,3R,3aS,4S,7S,7aR)-3-hydroxy-7,7a-dimethyl-4'-methylidene-2'-oxospiro[3,3a,4,5,6,7-hexahydro-1H-indene-2,3'-oxolane]-4-yl] (Z)-2-methylbut-2-enoate
 related_synonym: Formula=C20H28O5;   InChI=1S/C20H28O5/c1-6-11(2)17(22)25-14-8-7-12(3)19(5)10-20(16(21)15(14)19)13(4)9-24-18(20)23/h6,12,14-16,21H,4,7-10H2,1-3,5H3/b11-6-/t12-,14-,15+,16+,19+,20+/m0/s1;   InChIKey=KVPXGWXTEOVUGO-HKTLJSNGSA-N;   SMILES=O[C@@H]1[C@@]2([C@](C[C@@]13C(COC3=O)=C)([C@H](CC[C@@H]2OC(=O)/C(/C)=C\\C)C)C)[H]
 xref: Chemspider:9327352


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19899
    chemical entity 19897
      atom 19897
        nonmetal atom 19820
          carbon atom 19772
            organic molecular entity 19772
              isoprenoid 14084
                terpenoid 13784
                  terpene lactone 2189
                    Bakkenolide C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19536
                              organochalcogen compound 19296
                                organooxygen compound 19214
                                  ester 17563
                                    carboxylic ester 16937
                                      lactone 13317
                                        terpene lactone 2189
                                          Bakkenolide C 0
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