EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222298 - Methyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoate

ChEBI IDCHEBI:222298
ChEBI NameMethyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H18O5
Net Charge0
Average Mass266.293
Monoisotopic Mass266.11542
SMILESCOC(=O)c1c(O)cc(OC)c(C)c1[C@H](C)C(C)=O
InChIInChI=1S/C14H18O5/c1-7(9(3)15)12-8(2)11(18-4)6-10(16)13(12)14(17)19-5/h6-7,16H,1-5H3/t7-/m1/s1
InChIKeySMOXLKTYOHPSFE-SSDOTTSWSA-N
Species of MetaboliteComponentSourceComments
Phoma (ncbitaxon:37463) - PubMed (30542160)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Methyl (S)-8-hydroxy-6-methoxy-5-methyl-4a-(3-oxobutan-2-yl)benzoate (CHEBI:222298) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
methyl 6-hydroxy-4-methoxy-3-methyl-2-[(2S)-3-oxobutan-2-yl]benzoate