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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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 B
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Accession:CHEBI:66088 term browser browse the term
Definition:An indole alkaloid isolated from Isatis costata and exhibits antifungal activity.
Synonyms:exact_synonym: 2-ethylhexyl (4-{[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)(phenyl)methyl]oxy}phenyl)acetate
 related_synonym: Formula=C31H33NO4;   InChI=1S/C31H33NO4/c1-3-5-11-22(4-2)21-35-28(33)20-23-16-18-25(19-17-23)36-30(24-12-7-6-8-13-24)29-26-14-9-10-15-27(26)32-31(29)34/h6-10,12-19,22H,3-5,11,20-21H2,1-2H3,(H,32,34)/b30-29+;   InChIKey=DGWRIHOXTOJRIO-QVIHXGFCSA-N;   SMILES=CCCCC(CC)COC(=O)Cc1ccc(O\\C(c2ccccc2)=C2\\C(=O)Nc3ccccc23)cc1
 xref: PMID:17846565;   Reaxys:10732684

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      biological role 19830
        biochemical role 19538
          metabolite 19525
            isatinone B 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    p-block element atom 19804
                      carbon group element atom 19745
                        carbon atom 19741
                          organic molecular entity 19741
                            organic molecule 19692
                              organic cyclic compound 19503
                                organic heterocyclic compound 18875
                                  organic heteropolycyclic compound 18302
                                    organic heterobicyclic compound 17250
                                      benzopyrrole 9738
                                        indoles 9423
                                          indolones 5932
                                            isatinone B 0
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