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CHEBI:205831 - methyl 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate

ChEBI IDCHEBI:205831
ChEBI Namemethyl 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O6
Net Charge0
Average Mass268.265
Monoisotopic Mass268.09469
SMILESCOC(=O)c1ccc(OC)c(OC(=O)[C@@H](C)CO)c1
InChIInChI=1S/C13H16O6/c1-8(7-14)12(15)19-11-6-9(13(16)18-3)4-5-10(11)17-2/h4-6,8,14H,7H2,1-3H3/t8-/m0/s1
InChIKeyANBDFYOACQUMSL-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (21409683)
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 4-methoxy-3-(3'-hydroxy-2'-methyl)propionyloxy-benzoate (CHEBI:205831) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
methyl 3-(3-hydroxy-2-methylpropanoyl)oxy-4-methoxybenzoate
Manual XrefsDatabases
78434827ChemSpider