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CHEBI:215583 - 7-bromounguinol

Default Structure
ChEBI IDCHEBI:215583
ChEBI Name7-bromounguinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H17BrO5
Net Charge0
Average Mass405.244
Monoisotopic Mass404.02594
SMILESC/C=C(\C)c1c(Br)c(O)c(C)c2c1Oc1cc(O)cc(C)c1C(=O)O2
InChIInChI=1S/C19H17BrO5/c1-5-8(2)14-15(20)16(22)10(4)17-18(14)24-12-7-11(21)6-9(3)13(12)19(23)25-17/h5-7,21-22H,1-4H3/b8-5+
InChIKeyMQLAWUIMBJTRIO-VMPITWQZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (29634062)
ChEBI Ontology
Outgoing Relation(s)
7-bromounguinol (CHEBI:215583) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2-bromo-1-[(E)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one