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CHEBI:77642 - 2'-O-methyllicodione(1−)

ChEBI IDCHEBI:77642
ChEBI Name2'-O-methyllicodione(1−)
Stars
ASCII Name2'-O-methyllicodione(1-)
DefinitionA phenolate anion that is the conjugate base of 2'-O-methyllicodione, obtained by deprotonation of the phenolic hydroxy group at position 4; major species at pH 7.3.
Last Modified17 April 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H13O5
Net Charge-1
Average Mass285.275
Monoisotopic Mass285.07685
SMILESCOc1cc(O)ccc1C(=O)CC(=O)c1ccc([O-])cc1
InChIInChI=1S/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-8,17-18H,9H2,1H3/p-1
InChIKeyDMOSJPZKOKLUKK-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2'-O-methyllicodione(1−) (CHEBI:77642) is a phenolate anion (CHEBI:50525)
2'-O-methyllicodione(1−) (CHEBI:77642) is conjugate base of 2'-O-methyllicodione (CHEBI:15789)
Incoming Relation(s)
2'-O-methyllicodione (CHEBI:15789) is conjugate acid of 2'-O-methyllicodione(1−) (CHEBI:77642)
IUPAC Name 
4-[3-(4-hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate
UniProt Name  Source
2'-O-methyllicodioneUniProt