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M  END
> <ID>
CHEBI:31395

> <NAME>
Chlorobiocic acid

> <STAR>
2

> <SYNONYM>
Chlorobiocic acid

> <FORMULA>
C21H18ClNO6

> <MASS>
415.824

> <MONOISOTOPIC_MASS>
415.08227

> <CHARGE>
0

> <SMILES>
CC(C)=CCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O)c(Cl)c2oc1=O

> <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

> <CAS_REGISTRY_NUMBER>
114515-20-7

> <KEGG_COMPOUND_ACCESSION>
C12471

$$$$