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CHEBI:204548 - ethyl divaricatinate

ChEBI IDCHEBI:204548
ChEBI Nameethyl divaricatinate
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SubmitterMetaboLights
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FormulaC13H18O4
Net Charge0
Average Mass238.283
Monoisotopic Mass238.12051
SMILESCCCc1cc(OC)cc(O)c1C(=O)OCC
InChIInChI=1S/C13H18O4/c1-4-6-9-7-10(16-3)8-11(14)12(9)13(15)17-5-2/h7-8,14H,4-6H2,1-3H3
InChIKeyZTEGMSJYDACIAV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Protousnea (ncbitaxon:235511) - DOI (10.1021/np50038a018)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
ethyl divaricatinate (CHEBI:204548) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
ethyl 2-hydroxy-4-methoxy-6-propylbenzoate
Manual XrefsDatabases
156348ChemSpider