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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:taxane
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Accession:CHEBI:36064 term browser browse the term
Definition:A diterpene that has formula C20H36.
Synonyms:related_synonym: (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene;   (4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene;   Formula=C20H36;   InChI=1S/C20H36/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h14-18H,6-13H2,1-5H3/t14-,15-,16+,17+,18-,20+/m1/s1;   InChIKey=DKPFODGZWDEEBT-QFIAKTPHSA-N;   SMILES=[H][C@]12CC[C@@H](C)[C@]([H])(CC[C@]3(C)CCC[C@@H](C)[C@@]3([H])C1)C2(C)C
 xref: CAS:1605-68-1
 xref_mesh: MESH:C080625


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  CHEBI ontology 0
    chemical entity 0
      atom 0
        nonmetal atom 0
          carbon atom 0
            organic molecular entity 0
              organic fundamental parent 0
                natural product fundamental parent 0
                  terpenoid fundamental parent 0
                    taxane 0
                      baccatin III + 0
                      docetaxel anhydrous + 0
                      taxa-4,11-diene 0
                      taxane diterpenoid + 0
Path 2
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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
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  terpene 0
                                    diterpene 0
                                      taxane 0
                                        baccatin III + 0
                                        docetaxel anhydrous + 0
                                        taxa-4,11-diene 0
                                        taxane diterpenoid + 0
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