CHEBI:91022 - 3-bromo-β-lapachone

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ChEBI Name 3-bromo-β-lapachone ChEBI ID CHEBI:91022 ChEBI ASCII Name 3-bromo-beta-lapachone Definition A benzochromenone that is β-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine. Stars This entity has been manually annotated by the ChEBI Team. Submitter Stacia Engel 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 C15H13BrO3 Net Charge 0 Average Mass 321.166 Monoisotopic Mass 320.00481 InChI InChI=1S/C15H13BrO3/c1-15(2)11(16)7-10-13(18)12(17)8-5-3-4-6-9(8)14(10)19-15/h3-6,11H,7H2,1-2H3 InChIKey AUROYOJYCLWCML-UHFFFAOYSA-N SMILES CC1(C)OC=2C3=CC=CC=C3C(C(C2CC1Br)=O)=O ChEBI Ontology Outgoing 3-bromo-β-lapachone (CHEBI:91022) is a benzochromenone (CHEBI:64986) 3-bromo-β-lapachone (CHEBI:91022) is a organobromine compound (CHEBI:37141) 3-bromo-β-lapachone (CHEBI:91022) is a orthoquinones (CHEBI:25622) IUPAC Name 3-bromo-2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione Synonym Source NSC 98916 ChemIDplus Manual Xrefs Databases WO9707797 Patent WO9708162 Patent View more database links Registry Numbers Types Sources 200928 Reaxys Registry Number Reaxys 41019-50-5 CAS Registry Number ChemIDplus Citation Type Source 25241291 PubMed citation SUBMITTER Last Modified 03 June 2016