CHEBI:135033 - vanitiolide

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ChEBI Name vanitiolide ChEBI ID CHEBI:135033 Stars This entity has been manually annotated by a third party. 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 C12H15NO3S Net Charge 0 Average Mass 253.319 Monoisotopic Mass 253.07726 InChI InChI=1S/C12H15NO3S/c1-15-11-8-9(2-3-10(11)14)12(17)13-4-6-16-7-5-13/h2-3,8,14H,4-7H2,1H3 InChIKey WQYRHRAZNNRDIA-UHFFFAOYSA-N SMILES C(=S)(C1=CC(OC)=C(C=C1)O)N2CCOCC2 ChEBI Ontology Outgoing vanitiolide (CHEBI:135033) is a methoxybenzenes (CHEBI:51683) vanitiolide (CHEBI:135033) is a phenols (CHEBI:33853) Synonym Source vanitiolid DrugCentral Manual Xref Database 3847 DrugCentral View more database links Registry Number Type Source 17692-71-6 CAS Registry Number DrugCentral Last Modified 23 February 2017