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CHEBI:222538 - Bromomonilicin

ChEBI IDCHEBI:222538
ChEBI NameBromomonilicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H11BrO7
Net Charge0
Average Mass395.161
Monoisotopic Mass393.96881
SMILESCOC(=O)[C@H]1OC(=O)C=C(Br)c2oc3cc(C)cc(O)c3c(=O)c21
InChIInChI=1S/C16H11BrO7/c1-6-3-8(18)11-9(4-6)23-14-7(17)5-10(19)24-15(16(21)22-2)12(14)13(11)20/h3-5,15,18H,1-2H3/t15-/m0/s1
InChIKeyGHGYPOFJBFBJIY-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Monilinia fructicola (ncbitaxon:38448) - PubMed (3949629)
ChEBI Ontology
Outgoing Relation(s)
Bromomonilicin (CHEBI:222538) is a chromones (CHEBI:23238)
IUPAC Name 
methyl (1S)-5-bromo-10-hydroxy-8-methyl-3,11-dioxo-1H-oxepino[4,3-b]chromene-1-carboxylate
Manual XrefsDatabases
58828187ChemSpider