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ONTOLOGY REPORT - ANNOTATIONS


Term:O-benzoylecgonine 5-carboxypentyl ester
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Accession:CHEBI:63312 term browser browse the term
Definition:An azabicycloalkane that consists of ecgonine having benzoyl and 5-carboxypentyl groups attached to the hydroxy and carboxy functions respectively.
Synonyms:exact_synonym: 6-({[(R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-2-yl]carbonyl}oxy)hexanoic acid
 related_synonym: Formula=C22H29NO6;   GNC;   GNC hapten;   InChI=1S/C22H29NO6/c1-23-16-11-12-17(23)20(22(27)28-13-7-3-6-10-19(24)25)18(14-16)29-21(26)15-8-4-2-5-9-15/h2,4-5,8-9,16-18,20H,3,6-7,10-14H2,1H3,(H,24,25)/t16-,17+,18-,20+/m0/s1;   InChIKey=SORJFXHTZLIBBZ-HLNWXESRSA-N;   SMILES=[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OCCCCCC(O)=O)N2C;   ecgonine benzoate 5-carboxypentyl ester
 xref: PMID:11469854 "Europe PMC";   Reaxys:9957318 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19764
    role 19711
      biological role 19710
        hapten 2976
          O-benzoylecgonine 5-carboxypentyl ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19764
    subatomic particle 19762
      composite particle 19762
        hadron 19762
          baryon 19762
            nucleon 19762
              atomic nucleus 19762
                atom 19762
                  main group element atom 19646
                    p-block element atom 19646
                      carbon group element atom 19540
                        carbon atom 19529
                          organic molecular entity 19529
                            organic group 18432
                              organic divalent group 18423
                                organodiyl group 18423
                                  carbonyl group 18311
                                    carbonyl compound 18311
                                      carboxylic acid 17976
                                        hydroxy carboxylic acid 3595
                                          hydroxy monocarboxylic acid 3595
                                            2-hydroxy monocarboxylic acid 2911
                                              ecgonine 2
                                                O-benzoylecgonine 5-carboxypentyl ester 0
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