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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 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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      biological role 19732
        biochemical role 19281
          metabolite 19262
            isatinone B 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
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic molecule 19486
                              organic cyclic compound 19282
                                organic heterocyclic compound 18407
                                  organic heteropolycyclic compound 17820
                                    organic heterobicyclic compound 16742
                                      benzopyrrole 9339
                                        indoles 9193
                                          indolones 5849
                                            isatinone B 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.