CHEBI:58992 - 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid

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ChEBI Name 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid ChEBI ID CHEBI:58992 Definition A monocarboxylic acid consisting of valeric acid having a 2,3-dimethoxy-4-methylphenyl group attached to C-5. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H20O4 Net Charge 0 Average Mass 252.30620 Monoisotopic Mass 252.13616 InChI InChI=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) InChIKey LLBWHJKXNZPCGO-UHFFFAOYSA-N SMILES COc1c(C)ccc(CCCCC(O)=O)c1OC Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) has functional parent valeric acid (CHEBI:17418) 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) is a monocarboxylic acid (CHEBI:25384) 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) is conjugate acid of 5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993) Incoming 5-(2,3-dimethoxy-4-methylphenyl)pentanoate (CHEBI:58993) is conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid (CHEBI:58992) IUPAC Name 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid Synonym Source 6-methyl catacid ChEBI Registry Number Type Source 8270029 Reaxys Registry Number Reaxys Citation Type Source 10651166 PubMed citation Europe PMC Last Modified 21 December 2015