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CHEBI:227140 - Brialmontin 2

Default Structure
ChEBI IDCHEBI:227140
ChEBI NameBrialmontin 2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCOc1cc(C)c(C)c(OC(=O)c2c(C)c(C)c(OC)c(C)c2O)c1C
InChIInChI=1S/C21H26O5/c1-10-9-16(24-7)14(5)20(11(10)2)26-21(23)17-12(3)13(4)19(25-8)15(6)18(17)22/h9,22H,1-8H3
InChIKeyNJHFJFIKXZJXPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lecania brialmontii (ncbitaxon:387284) - DOI (10.1021/np50068a038)
ChEBI Ontology
Outgoing Relation(s)
Brialmontin 2 (CHEBI:227140) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(3-methoxy-2,5,6-trimethylphenyl) 2-hydroxy-4-methoxy-3,5,6-trimethylbenzoate
Manual XrefsDatabases
78435407ChemSpider