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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 875
    role 855
      biological role 855
        biochemical role 726
          metabolite 714
            alkaloid 46
              tropane alkaloid 1
                tropanyl 3,5-dimethylbenzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 875
    subatomic particle 860
      composite particle 860
        hadron 860
          baryon 860
            nucleon 860
              atomic nucleus 860
                atom 860
                  main group element atom 850
                    p-block element atom 847
                      carbon group element atom 823
                        carbon atom 822
                          organic molecular entity 822
                            organic group 391
                              organic divalent group 389
                                organodiyl group 389
                                  carbonyl group 388
                                    carbonyl compound 388
                                      carboxylic acid 266
                                        aromatic carboxylic acid 86
                                          benzoic acids 84
                                            benzoate ester 13
                                              tropanyl 3,5-dimethylbenzoate 0
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