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CHEBI:192547 - 4-O-demethylbarbatate

ChEBI IDCHEBI:192547
ChEBI Name4-O-demethylbarbatate
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC18H17O7
Net Charge-1
Average Mass345.327
Monoisotopic Mass345.09798
SMILESCc1cc(O)c(C)c(O)c1C(=O)Oc1cc(C)c(C(=O)[O-])c(O)c1C
InChIInChI=1S/C18H18O7/c1-7-5-11(19)9(3)15(20)14(7)18(24)25-12-6-8(2)13(17(22)23)16(21)10(12)4/h5-6,19-21H,1-4H3,(H,22,23)/p-1
InChIKeyCOUKTHZXLGYKPK-UHFFFAOYSA-M
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
4-O-demethylbarbatate (CHEBI:192547) has role fungal metabolite (CHEBI:76946)
4-O-demethylbarbatate (CHEBI:192547) is a benzoate ester (CHEBI:36054)
UniProt Name  Source
4-O-demethylbarbatateUniProt
Manual XrefsDatabases
CPD-25208MetaCyc
Citations