CHEBI:61249 - hesperetin(1−)

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ChEBI Name hesperetin(1−) ChEBI ID CHEBI:61249 ChEBI ASCII Name hesperetin(1-) Definition A flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen 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 C16H13O6 Net Charge -1 Average Mass 301.27080 Monoisotopic Mass 301.07176 InChI InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/p-1/t14-/m0/s1 InChIKey AIONOLUJZLIMTK-AWEZNQCLSA-M SMILES COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc([O-])cc2O1 ChEBI Ontology Outgoing hesperetin(1−) (CHEBI:61249) is a flavonoid oxoanion (CHEBI:60038) hesperetin(1−) (CHEBI:61249) is conjugate base of hesperetin (CHEBI:28230) Incoming hesperetin (CHEBI:28230) is conjugate acid of hesperetin(1−) (CHEBI:61249) IUPAC Name (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxochroman-7-olate Synonym Source hesperetin anion ChEBI Manual Xref Database CPD-7072 MetaCyc View more database links Last Modified 20 March 2014