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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:tropanyl 3,5-dimethylbenzoate
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Accession:CHEBI:64142 term browser browse the term
Definition:A tropane alkaloid that consists of tropine in which the hydrogen of the hydroxy function is substituted by a 3,5-dimethylbenzoyl group.
Synonyms:exact_synonym: (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate
 related_synonym: Formula=C17H23NO2;   InChI=1S/C17H23NO2/c1-11-6-12(2)8-13(7-11)17(19)20-16-9-14-4-5-15(10-16)18(14)3/h6-8,14-16H,4-5,9-10H2,1-3H3/t14-,15+,16+;   InChIKey=HDDNYFLPWFSBLN-ZSHCYNCHSA-N;   MDL 72222;   SMILES=CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1cc(C)cc(C)c1;   Tropyl 3,5-dimethylbenzoate;   tropanserin;   tropanserina;   tropanserine;   tropanserinum
 xref: CAS:85181-40-4;   PMID:1314791;   PMID:15350826;   PMID:17948891;   PMID:18718451;   PMID:19953653;   PMID:2223050;   PMID:2498925;   PMID:3990828;   PMID:6472484;   PMID:8048747;   PMID:8429917;   PMID:9838105;   Reaxys:21043097


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            alkaloid 0
              tropane alkaloid 0
                tropanyl 3,5-dimethylbenzoate 0
Path 2
Term Annotations click to browse term
  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
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        aromatic carboxylic acid 0
                                          benzoic acids 0
                                            benzoate ester 0
                                              tropanyl 3,5-dimethylbenzoate 0
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