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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:himbacine
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Accession:CHEBI:5720 term browser browse the term
Definition:A piperidine alkaloid that is decahydronaphtho[2,3-c]furan-1(3H)-one substituted by a methyl group at position 3 and a 2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl group at position 4. It has been isolated from the bark of Australian magnolias.
Synonyms:exact_synonym: (3S,3aR,4R,4aS,8aR,9aS)-4-{(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl}-3-methyldecahydronaphtho[2,3-c]furan-1(3H)-one
 related_synonym: Formula=C22H35NO2;   InChI=1S/C22H35NO2/c1-14-7-6-9-17(23(14)3)11-12-19-18-10-5-4-8-16(18)13-20-21(19)15(2)25-22(20)24/h11-12,14-21H,4-10,13H2,1-3H3/b12-11+/t14-,15-,16+,17+,18-,19+,20-,21+/m0/s1;   InChIKey=FMPNFDSPHNUFOS-LPJDIUFZSA-N;   SMILES=C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](\\C=C\\[C@H]3CCC[C@H](C)N3C)[C@@H]12
 xref: CAS:6879-74-9;   KEGG:C10598;   KNApSAcK:C00002343
 xref_mesh: MESH:C048172
 xref: PMID:15704900;   PMID:20385108;   PMID:21885618;   PMID:22405832;   PMID:24695732;   Reaxys:4734384;   Wikipedia:Himbacine


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19720
      biological role 19720
        biochemical role 19310
          metabolite 19292
            alkaloid 5625
              piperidine alkaloid 70
                himbacine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic group 18602
                              organic divalent group 18593
                                organodiyl group 18593
                                  carbonyl group 18506
                                    carbonyl compound 18506
                                      carboxylic ester 15492
                                        lactone 9708
                                          gamma-lactone 6487
                                            himbacine 0
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