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CHEBI:201777 - Nidulin

Default Structure
ChEBI IDCHEBI:201777
ChEBI NameNidulin
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SubmitterMetaboLights
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FormulaC20H17Cl3O5
Net Charge0
Average Mass443.710
Monoisotopic Mass442.01416
SMILESCC=C(C)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1OC2=O
InChIInChI=1S/C20H17Cl3O5/c1-6-7(2)10-13(22)16(26-5)8(3)11-18(10)27-19-14(23)15(24)12(21)9(4)17(19)28-20(11)25/h6,24H,1-5H3
InChIKeyAFQLWPMBPRSRCW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Nidulin (CHEBI:201777) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
10-[(E)-but-2-en-2-yl]-1,3,9-trichloro-2-hydroxy-8-methoxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
29272113ChemSpider