CHEBI:31395 - Chlorobiocic acid

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ChEBI Name Chlorobiocic acid ChEBI ID CHEBI:31395 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 C21H18ClNO6 Net Charge 0 Average Mass 415.824 Monoisotopic Mass 415.08227 InChI InChI=1S/C21H18ClNO6/c1-10(2)3-4-11-9-12(5-7-14(11)24)20(27)23-17-18(26)13-6-8-15(25)16(22)19(13)29-21(17)28/h3,5-9,24-26H,4H2,1-2H3,(H,23,27) InChIKey GQENLIMEQYDTDJ-UHFFFAOYSA-N SMILES CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O ChEBI Ontology Outgoing Chlorobiocic acid (CHEBI:31395) is a hydroxycoumarin (CHEBI:37912) Synonym Source Chlorobiocic acid KEGG COMPOUND Manual Xref Database C12471 KEGG COMPOUND View more database links Registry Number Type Source 114515-20-7 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014