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CHEBI:222189 - (R)-3-demethylpurpurester A

ChEBI IDCHEBI:222189
ChEBI Name(R)-3-demethylpurpurester A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H14O5
Net Charge0
Average Mass238.239
Monoisotopic Mass238.08412
SMILESCCC[C@@]1(O)OC(=O)c2c1cc(O)c(O)c2C
InChIInChI=1S/C12H14O5/c1-3-4-12(16)7-5-8(13)10(14)6(2)9(7)11(15)17-12/h5,13-14,16H,3-4H2,1-2H3/t12-/m1/s1
InChIKeyXKLHVAGRLHIBDJ-GFCCVEGCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25996099)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(R)-3-demethylpurpurester A (CHEBI:222189) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(3R)-3,5,6-trihydroxy-7-methyl-3-propyl-2-benzouran-1-one
Manual XrefsDatabases
35516992ChemSpider