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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:G-1
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Accession:CHEBI:156296 term browser browse the term
Synonyms:related_synonym: 1-(4-(6-Bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl)-ethanone;   Formula=C21H18BrNO3;   GPER agonist;   InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1;   InChIKey=VHSVKVWHYFBIFJ-HKZYLEAXSA-N;   SMILES=BrC=1C([C@@]2(N(C3=C([C@]4([C@@]2(C(C(=C4[H])[H])([H])[H])[H])[H])C(=C(C(=C3[H])[H])C(=O)C([H])([H])[H])[H])[H])[H])=C(C=5OC(OC5C1[H])([H])[H])[H]
 xref: CAS:881639-98-1;   PDBeChem:5322399


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Path 1
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  CHEBI ontology 19811
    role 19818
      biological role 19785
        pharmacological role 19030
          agonist 18607
            G-1 0
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