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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:isatinone A
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Accession:CHEBI:66087 term browser browse the term
Definition:An indole alkaloid that is 1,3-dihydro-2H-indol-2-one substituted by a methoxy(phenyl)methylidene group at position 3 (the 3E stereoisomer). Isolated from Isatis costata, it exhibits antifungal activity.
Synonyms:exact_synonym: (3E)-3-[methoxy(phenyl)methylidene]-1,3-dihydro-2H-indol-2-one
 related_synonym: Formula=C16H13NO2;   InChI=1S/C16H13NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-10H,1H3,(H,17,18)/b15-14+;   InChIKey=VRJYLVZCUCQVBL-CCEZHUSRSA-N;   SMILES=CO\\C(c1ccccc1)=C1\\C(=O)Nc2ccccc12
 xref: PMID:17846565;   Reaxys:10674292


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      biological role 494
        biochemical role 454
          metabolite 445
            isatinone A 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  organic heteropolycyclic compound 96
                                    organic heterobicyclic compound 44
                                      benzopyrrole 8
                                        indoles 8
                                          indolones 1
                                            isatinone A 0
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