CHEBI:135102 - isoxepac

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ChEBI Name isoxepac ChEBI ID CHEBI:135102 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 C16H12O4 Net Charge 0 Average Mass 268.265 Monoisotopic Mass 268.07356 InChI InChI=1S/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18) InChIKey QFGMXJOBTNZHEL-UHFFFAOYSA-N SMILES O=C1C2=C(OCC=3C1=CC=CC3)C=CC(=C2)CC(O)=O ChEBI Ontology Outgoing isoxepac (CHEBI:135102) is a dibenzooxazepine (CHEBI:53802) Synonym Source artil DrugCentral Manual Xref Database 3310 DrugCentral View more database links Registry Number Type Source 55453-87-7 CAS Registry Number DrugCentral Last Modified 23 February 2017