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CHEBI:215613 - 3-bromounguidepside A

Default Structure
ChEBI IDCHEBI:215613
ChEBI Name3-bromounguidepside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H19BrO7
Net Charge0
Average Mass451.269
Monoisotopic Mass450.03142
SMILESCC=C(C)c1cc(OC(=O)c2c(C)cc(O)c(Br)c2O)c(C)c(O)c1C(=O)O
InChIInChI=1S/C20H19BrO7/c1-5-8(2)11-7-13(10(4)17(23)15(11)19(25)26)28-20(27)14-9(3)6-12(22)16(21)18(14)24/h5-7,22-24H,1-4H3,(H,25,26)
InChIKeyMJFCVCNVEUJZBV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (29634062)
ChEBI Ontology
Outgoing Relation(s)
3-bromounguidepside A (CHEBI:215613) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-(3-bromo-2,4-dihydroxy-6-methylbenzoyl)oxy-6-but-2-en-2-yl-2-hydroxy-3-methylbenzoic acid