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ONTOLOGY REPORT - ANNOTATIONS


Term:(4-methoxyindol-3-ylmethyl)isothiocyanate
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Accession:CHEBI:136938 term browser browse the term
Definition:A member of the class of indoles that is 1H-indole carrying isothiocyanatomethyl and methoxy substituents at positions 3 and 4 respectively.
Synonyms:exact_synonym: 3-(isothiocyanatomethyl)-4-methoxy-1H-indole
 related_synonym: 3-(isothiocyanatomethyl)-4-methoxyindole;   4-methoxy-3-indolylmethylisothiocyanate;   Formula=C11H10N2OS;   InChI=1S/C11H10N2OS/c1-14-10-4-2-3-9-11(10)8(6-13-9)5-12-7-15/h2-4,6,13H,5H2,1H3;   InChIKey=IMQUXUBOZWPMFX-UHFFFAOYSA-N;   SMILES=COC1=CC=CC2=C1C(=CN2)CN=C=S
 xref: Chemspider:10709969;   MetaCyc:CPDQT-433;   Reaxys:31836797 "Reaxys"


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Term Annotations click to browse term
  CHEBI ontology 19612
    role 19555
      biological role 19553
        biochemical role 19070
          metabolite 19035
            eukaryotic metabolite 18700
              plant metabolite 16952
                Arabidopsis thaliana metabolite 6
                  (4-methoxyindol-3-ylmethyl)isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19612
    subatomic particle 19608
      composite particle 19608
        hadron 19608
          baryon 19608
            nucleon 19608
              atomic nucleus 19608
                atom 19608
                  main group element atom 19487
                    p-block element atom 19487
                      carbon group element atom 19361
                        carbon atom 19353
                          organic molecular entity 19353
                            organic molecule 19271
                              organic cyclic compound 19060
                                organic heterocyclic compound 18129
                                  organic heteropolycyclic compound 17363
                                    organic heterobicyclic compound 15894
                                      benzopyrrole 5750
                                        indoles 5523
                                          (4-methoxyindol-3-ylmethyl)isothiocyanate 0
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