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CHEBI:215588 - 2-chloro-7-bromounguinol

Default Structure
ChEBI IDCHEBI:215588
ChEBI Name2-chloro-7-bromounguinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16BrClO5
Net Charge0
Average Mass439.689
Monoisotopic Mass437.98696
SMILESC/C=C(\C)c1c(Br)c(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2
InChIInChI=1S/C19H16BrClO5/c1-5-7(2)12-14(20)16(23)9(4)17-18(12)25-11-6-10(22)15(21)8(3)13(11)19(24)26-17/h5-6,22-23H,1-4H3/b7-5+
InChIKeyUMNSEVFQTPAIHT-FNORWQNLSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (29634062)
ChEBI Ontology
Outgoing Relation(s)
2-chloro-7-bromounguinol (CHEBI:215588) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-bromo-1-[(E)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one