CHEBI:136932 - 3-(isothiocyanatomethyl)-1-methoxyindole

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ChEBI Name 3-(isothiocyanatomethyl)-1-methoxyindole ChEBI ID CHEBI:136932 Definition A member of the class of indoles that is 1H-indole carrying methoxy and isothiocyanatomethyl substituents at positions 1 and 3 respectively. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H10N2OS Net Charge 0 Average Mass 218.276 Monoisotopic Mass 218.05138 InChI 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 Metabolite of Species Details Arabidopsis thaliana (NCBI:txid3702) See: PubMed Arabidopsis thaliana (NCBI:txid3702) See: MetaboLights Study Roles Classification Biological Role(s): Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. View more via ChEBI Ontology ChEBI Ontology Outgoing 3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) has role Arabidopsis thaliana metabolite (CHEBI:140602) 3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) is a indoles (CHEBI:24828) 3-(isothiocyanatomethyl)-1-methoxyindole (CHEBI:136932) is a isothiocyanate (CHEBI:52221) IUPAC Name 3-(isothiocyanatomethyl)-1-methoxy-1H-indole Synonyms Sources (1-methoxyindol-3-yl)methyl isothiocyanate ChEBI 1-methoxyindol-3-ylmethyl isothiocyanate ChEBI Manual Xrefs Databases 10709973 ChemSpider HMDB0038463 HMDB View more database links Registry Number Type Source 3549092 Reaxys Registry Number Reaxys Last Modified 18 April 2018