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CHEBI:31395 - Chlorobiocic acid

ChEBI IDCHEBI:31395
ChEBI NameChlorobiocic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H18ClNO6
Net Charge0
Average Mass415.829
Monoisotopic Mass415.08226
SMILESCC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(Cl)c3oc2=O)ccc1O
InChIInChI=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)
InChIKeyGQENLIMEQYDTDJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Chlorobiocic acid (CHEBI:31395) is a hydroxycoumarin (CHEBI:37912)
Synonym  Source
Chlorobiocic acidKEGG COMPOUND
Manual XrefsDatabases
C12471KEGG COMPOUND
Registry NumbersSources
CAS:114515-20-7KEGG COMPOUND