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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:isobrucine
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Accession:CHEBI:132660 term browser browse the term
Definition:A monoterpenoid indole alkaloid with formula C23H26N2O4, originally isolated from the seeds of Strychnos nux-vomica.
Synonyms:exact_synonym: (3aR,11bS,12S,13aS,14E)-14-(2-hydroxyethylidene)-5,6-dimethoxy-2,3,10,12,13,13a-hexahydro-9H,11bH-1,12-ethanopyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one
 related_synonym: Formula=C23H26N2O4;   InChI=1S/C23H26N2O4/c1-28-18-10-16-17(11-19(18)29-2)25-21(27)4-3-14-15-9-20-23(16,22(14)25)6-7-24(20)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3/b13-5-/t15-,20-,22-,23+/m0/s1;   InChIKey=XTGYWZXUYFAABL-XZZOEZDBSA-N;   SMILES=O=C1N2[C@@]3([C@@]4([C@]5(N(CC4)C/C(/[C@](C5)(C3=CC1)[H])=C/CO)[H])C=6C2=CC(=C(C6)OC)OC)[H]
 xref: PMID:2393954;   PMID:7912074;   PMID:7945866;   Pubchem:3081763;   Reaxys:3635385



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      application 19734
        NMR chemical shift reference compound 18103
          ammonia 17899
            organic amino compound 17899
              tertiary amino compound 10158
                isobrucine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  carbon oxoacid 18695
                                    carboxylic acid 18692
                                      carboacyl group 17724
                                        univalent carboacyl group 17724
                                          carbamoyl group 17577
                                            carboxamide 17577
                                              lactam 8394
                                                delta-lactam 1209
                                                  isobrucine 0
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