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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 19811
    role 19818
      biological role 19785
        biochemical role 19496
          metabolite 19484
            alkaloid 7817
              piperidine alkaloid 94
                himbacine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  ester 17247
                                    carboxylic ester 16563
                                      lactone 12512
                                        gamma-lactone 6859
                                          himbacine 0
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