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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:3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine
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Accession:CHEBI:92280 term browser browse the term
Definition:A dibenzoazepine that has formula C19H22N4O4.
Synonyms:related_synonym: Formula=C19H22N4O4;   InChI=1S/C19H22N4O4/c1-20(2)10-3-11-21-18-8-6-16(22(24)25)12-14(18)4-5-15-13-17(23(26)27)7-9-19(15)21/h6-9,12-13H,3-5,10-11H2,1-2H3;   InChIKey=MKXUVDRBPODBNG-UHFFFAOYSA-N;   SMILES=CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-]
 xref: LINCS:LSM-2336


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    chemical entity 19785
      group 19696
        inorganic group 19146
          nitro group 7266
            nitro compound 7266
              C-nitro compound 6869
                3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    main group molecular entity 19670
                      s-block molecular entity 19428
                        hydrogen molecular entity 19418
                          hydrides 18685
                            inorganic hydride 17409
                              pnictogen hydride 17381
                                nitrogen hydride 17223
                                  azane 16940
                                    ammonia 16939
                                      organic amino compound 16938
                                        tertiary amino compound 8629
                                          3-(3,8-dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine 0
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