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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:[(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone
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Accession:CHEBI:126906 term browser browse the term
Definition:A pyrroloquinoline that has formula C18H18BrN3O2.
Synonyms:related_synonym: Formula=C18H18BrN3O2;   InChI=1S/C18H18BrN3O2/c19-11-4-5-14-13(9-11)17-12(16(10-23)21-14)6-8-22(17)18(24)15-3-1-2-7-20-15/h1-5,7,9,12,16-17,21,23H,6,8,10H2/t12-,16-,17-/m1/s1;   InChIKey=RJOUIUOITMHMDJ-CSMYWGQOSA-N;   SMILES=C1CN([C@@H]2[C@H]1[C@H](NC3=C2C=C(C=C3)Br)CO)C(=O)C4=CC=CC=N4
 xref: LINCS:LSM-38469


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Term Annotations click to browse term
  CHEBI ontology 5067
    chemical entity 5067
      atom 5058
        nonmetal atom 5021
          nitrogen atom 498
            nitrogen molecular entity 498
              organonitrogen compound 382
                organonitrogen heterocyclic compound 267
                  pyrroloquinoline 0
                    [(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5067
    subatomic particle 5058
      composite particle 5058
        hadron 5058
          baryon 5058
            nucleon 5058
              atomic nucleus 5058
                atom 5058
                  main group element atom 5028
                    p-block element atom 5025
                      carbon group element atom 4942
                        carbon atom 4941
                          organic molecular entity 4941
                            organic molecule 4889
                              organic cyclic compound 4828
                                organic heterocyclic compound 4617
                                  organic heteropolycyclic compound 4417
                                    organic heterotricyclic compound 60
                                      pyrroloquinoline 0
                                        [(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-pyridinyl)methanone 0
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