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

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ChEBI Name 2'-O-methyllicodione(1−)
ChEBI ID CHEBI:77642
ChEBI ASCII Name 2'-O-methyllicodione(1-)
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
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Formula C16H13O5
Net Charge -1
Average Mass 285.27200
Monoisotopic Mass 285.07685
InChI InChI=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
InChIKey DMOSJPZKOKLUKK-UHFFFAOYSA-M
SMILES COc1cc(O)ccc1C(=O)CC(=O)c1ccc([O-])cc1
ChEBI Ontology
Outgoing 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 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
Synonym Source
2'-O-methyllicodione UniProt
Last Modified
17 April 2014
Submitter Remark
2014-03-10 15:53:46.0 Anne Morgat Major structure at pH 7.3 (marvin 6.2.0) = Rhea normalized structure
2014-03-10 15:54:00.0 Anne Morgat Conjugate of CHEBI:15789