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CHEBI:58993 - 5-(2,3-dimethoxy-4-methylphenyl)pentanoate

ChEBI IDCHEBI:58993
ChEBI Name5-(2,3-dimethoxy-4-methylphenyl)pentanoate
Stars
DefinitionA monocarboxylic acid anion that is the conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid, formed by proton loss from the carboxy group.
Last Modified22 December 2015
SubmitterSteve
DownloadsMolfile
FormulaC14H19O4
Net Charge-1
Average Mass251.302
Monoisotopic Mass251.12888
SMILESCOc1c(C)ccc(CCCCC(=O)[O-])c1OC
InChIInChI=1S/C14H20O4/c1-10-8-9-11(6-4-5-7-12(15)16)14(18-3)13(10)17-2/h8-9H,4-7H2,1-3H3,(H,15,16)/p-1
InChIKeyLLBWHJKXNZPCGO-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993) is a monocarboxylic acid anion (CHEBI:35757)
5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993) is conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992)
Incoming Relation(s)
5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) is conjugate acid of 5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993)
IUPAC Name 
5-(2,3-dimethoxy-4-methylphenyl)pentanoate
Synonym  Source
5-(2,3-dimethoxy-4-methylphenyl)valerateIUPAC