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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:4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one
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Accession:CHEBI:107141 term browser browse the term
Definition:A coumarin that has formula C16H11ClN2O4.
Synonyms:related_synonym: Formula=C16H11ClN2O4;   InChI=1S/C16H11ClN2O4/c17-11-7-5-10(6-8-11)9-18-14-12-3-1-2-4-13(12)23-16(20)15(14)19(21)22/h1-8,18H,9H2;   InChIKey=ZRTMTMAIUJSKAV-UHFFFAOYSA-N;   SMILES=C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NCC3=CC=C(C=C3)Cl
 xref: LINCS:LSM-18495


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Term Annotations click to browse term
  CHEBI ontology 26046
    chemical entity 26025
      molecular entity 26003
        polyatomic entity 25888
          molecule 25274
            cyclic compound 24285
              aromatic compound 23921
                organic aromatic compound 23921
                  phenylpropanoid 12158
                    coumarins 4495
                      4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 26046
    subatomic particle 26021
      composite particle 26021
        hadron 26021
          baryon 26021
            nucleon 26021
              atomic nucleus 26021
                atom 26021
                  main group element atom 25846
                    p-block element atom 25846
                      carbon group element atom 25443
                        carbon atom 25401
                          organic molecular entity 25401
                            organic molecule 25229
                              organic cyclic compound 24284
                                organic heterocyclic compound 22333
                                  oxacycle 20037
                                    benzopyran 12754
                                      1-benzopyran 12489
                                        chromenes 4774
                                          chromenone 4727
                                            coumarins 4495
                                              4-[(4-chlorophenyl)methylamino]-3-nitro-1-benzopyran-2-one 0
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