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CHEBI:215602 - 5-bromoagonodepside B

Default Structure
ChEBI IDCHEBI:215602
ChEBI Name5-bromoagonodepside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25BrO7
Net Charge0
Average Mass505.361
Monoisotopic Mass504.07837
SMILESC/C=C(\C)c1cc(OC(=O)c2c(O)c(C)c(O)c(Br)c2/C(C)=C/C)c(C)c(O)c1C(=O)O
InChIInChI=1S/C24H25BrO7/c1-7-10(3)14-9-15(12(5)20(26)17(14)23(29)30)32-24(31)18-16(11(4)8-2)19(25)22(28)13(6)21(18)27/h7-9,26-28H,1-6H3,(H,29,30)/b10-7+,11-8+
InChIKeyPYZQORWOXDELTM-AMMQDNIMSA-N
Species of MetaboliteComponentSourceComments
Aspergillus unguis (ncbitaxon:40381) - PubMed (29634062)
ChEBI Ontology
Outgoing Relation(s)
5-bromoagonodepside B (CHEBI:215602) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
4-[3-bromo-2-[(E)-but-2-en-2-yl]-4,6-dihydroxy-5-methylbenzoyl]oxy-6-[(E)-but-2-en-2-yl]-2-hydroxy-3-methylbenzoic acid