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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:ent-atiserene
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Accession:CHEBI:138219 term browser browse the term
Definition:A diterpene that is the enantiomer of atisane which has undergone formal dehydrogenation to indroduce an exocyclic double bond at position 16.
Synonyms:exact_synonym: (5beta,8alpha,9beta,10alpha,12alpha)-atis-16-ene
 related_synonym: (-)-atisirene;   Formula=C20H32;   InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1;   InChIKey=LFRRHLVVLXYROS-YQXATGRUSA-N;   SMILES=C1CCC([C@@]2([C@@]1([C@]3([C@]4(CC2)CC([C@H](C3)CC4)=C)[H])C)[H])(C)C;   ent-atiser-16-ene
 xref: CAS:20230-48-2;   KNApSAcK:C00000879;   MetaCyc:CPD-20256;   PMID:17892288;   PMID:21825154;   PMID:28381502;   Reaxys:2559115


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  CHEBI ontology 19810
    role 19758
      biological role 19758
        biochemical role 19304
          metabolite 19285
            eukaryotic metabolite 18934
              plant metabolite 17422
                ent-atiserene 0
Path 2
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  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    main group molecular entity 19696
                      s-block molecular entity 19456
                        hydrogen molecular entity 19447
                          hydrides 18703
                            organic hydride 18265
                              organic fundamental parent 18265
                                hydrocarbon 17986
                                  cyclic hydrocarbon 17073
                                    polycyclic hydrocarbon 16887
                                      ent-atiserene 0
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