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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 24381
    role 24291
      biological role 24258
        biochemical role 23647
          metabolite 23566
            alkaloid 5570
              tropane alkaloid 1549
                tropanyl 3,5-dimethylbenzoate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24381
    subatomic particle 24338
      composite particle 24338
        hadron 24338
          baryon 24338
            nucleon 24338
              atomic nucleus 24338
                atom 24338
                  main group element atom 24185
                    p-block element atom 24185
                      carbon group element atom 23965
                        carbon atom 23925
                          organic molecular entity 23925
                            organic group 22218
                              organic divalent group 22192
                                organodiyl group 22192
                                  carbonyl group 22175
                                    carbonyl compound 22175
                                      carboxylic acid 21201
                                        aromatic carboxylic acid 11619
                                          benzoic acids 11588
                                            benzoate ester 4612
                                              tropanyl 3,5-dimethylbenzoate 0
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