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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:CGP-3466
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Accession:CHEBI:41778 term browser browse the term
Definition:A dibenzooxepine that has formula C19H17NO.
Synonyms:exact_synonym: N-(dibenzo[b,f]oxepin-10-ylmethyl)-N-methylprop-2-yn-1-amine
 related_synonym: Formula=C19H17NO;   InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3;   InChIKey=QLMMOGWZCFQAPU-UHFFFAOYSA-N;   N-(DIBENZO[B,F]OXEPIN-10-YLMETHYL)-N-METHYL-N-PROP-2-YNYLAMINE;   SMILES=CN(CC#C)CC1=Cc2ccccc2Oc2ccccc12;   dibenzo-(b,f)oxepin-10-ylmethyl-methyl-prop-2-ynyl-amine
 alt_id: CHEBI:35364;   CHEBI:41775
 xref: PDBeChem:DB0


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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        polyatomic entity 0
          molecule 0
            cyclic compound 0
              polycyclic compound 0
                heteropolycyclic compound 0
                  heterotricyclic compound 0
                    organic heterotricyclic compound 0
                      dibenzooxepine 0
                        CGP-3466 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organic heteropolycyclic compound 0
                                    organic heterotricyclic compound 0
                                      dibenzooxepine 0
                                        CGP-3466 0
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