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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.

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Accession:CHEBI:136932 term browser browse the term
Definition:A member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively.
Synonyms:exact_synonym: 3-(isothiocyanatomethyl)-1-methoxy-1H-indole
 related_synonym: (1-methoxyindol-3-yl)methyl isothiocyanate;   1-methoxyindol-3-ylmethyl isothiocyanate;   Formula=C11H10N2OS;   InChI=1S/C11H10N2OS/c1-14-13-7-9(6-12-8-15)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3;   InChIKey=FLURSKCCKANNKS-UHFFFAOYSA-N;   SMILES=CON1C=C(C=2C1=CC=CC2)CN=C=S
 xref: Chemspider:10709973;   HMDB:HMDB0038463;   Reaxys:3549092

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Path 1
Term Annotations click to browse term
  CHEBI ontology 19775
    role 19722
      biological role 19722
        biochemical role 19323
          metabolite 19302
            eukaryotic metabolite 18970
              plant metabolite 17455
                Arabidopsis thaliana metabolite 15
                  3-(isothiocyanatomethyl)-1-methoxyindole 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19775
    subatomic particle 19774
      composite particle 19774
        hadron 19774
          baryon 19774
            nucleon 19774
              atomic nucleus 19774
                atom 19774
                  main group element atom 19665
                    p-block element atom 19665
                      carbon group element atom 19584
                        carbon atom 19574
                          organic molecular entity 19574
                            organic molecule 19508
                              organic cyclic compound 19338
                                organic heterocyclic compound 18567
                                  organic heteropolycyclic compound 18061
                                    organic heterobicyclic compound 16861
                                      benzopyrrole 9560
                                        indoles 9232
                                          3-(isothiocyanatomethyl)-1-methoxyindole 0
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