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preterpestacin I - Ontology Report - Rat Genome Database

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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:preterpestacin I
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Accession:CHEBI:189069 term browser browse the term
Definition:A sesterterpenoid that has been characterized as the product of Bipolaris maydis BmTS3.
Synonyms:exact_synonym: (3S,3aR,5E,7S,10E,14E,16aS)-6,10,14,16a-tetramethyl-3-(propan-2-yl)-1,2,3,3a,4,7,8,9,12,13,16,16a-dodecahydrocyclopenta[15]annulen-7-ol
 related_synonym: Formula=C25H42O;   InChI=1S/C25H42O/c1-18(2)22-15-17-25(6)16-14-20(4)9-7-8-19(3)10-13-24(26)21(5)11-12-23(22)25/h8,11,14,18,22-24,26H,7,9-10,12-13,15-17H2,1-6H3/b19-8+,20-14+,21-11+/t22-,23+,24-,25+/m0/s1;   InChIKey=MGRJONRALKLFBS-YBSCOXHPSA-N;   SMILES=[H][C@]12C\\C=C(C)\\[C@@H](O)CC\\C(C)=C\\CC\\C(C)=C\\C[C@]1(C)CC[C@H]2C(C)C
 xref: PMID:29417814;   PMID:34155529;   PMID:34357940

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  CHEBI ontology 20856
    role 20816
      biological role 20814
        biochemical role 20261
          metabolite 20243
            eukaryotic metabolite 19957
              fungal metabolite 18283
                preterpestacin I 0
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  CHEBI ontology 20856
    subatomic particle 20854
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                  main group element atom 20777
                    main group molecular entity 20777
                      s-block molecular entity 20573
                        hydrogen molecular entity 20557
                          hydrides 19691
                            organic hydride 19080
                              organic fundamental parent 19080
                                hydrocarbon 18734
                                  terpene 14120
                                    sesterterpene 22
                                      sesterterpenoid 12
                                        preterpestacin I 0
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