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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:(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


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      biological role 19732
        biochemical role 19333
          metabolite 19312
            eukaryotic metabolite 18980
              plant metabolite 17457
                Arabidopsis thaliana metabolite 15
                  (4-methoxyindol-3-ylmethyl)isothiocyanate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic molecule 19519
                              organic cyclic compound 19349
                                organic heterocyclic compound 18574
                                  organic heteropolycyclic compound 18065
                                    organic heterobicyclic compound 16858
                                      benzopyrrole 9560
                                        indoles 9232
                                          (4-methoxyindol-3-ylmethyl)isothiocyanate 0
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