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CHEBI:61249 - hesperetin(1−)

ChEBI IDCHEBI:61249
ChEBI Namehesperetin(1−)
Stars
ASCII Namehesperetin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of hesperetin arising from selective deprtotonation of the 7-hydroxy group.
Last Modified20 March 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H13O6
Net Charge-1
Average Mass301.274
Monoisotopic Mass301.07176
SMILESCOc1ccc([C@@H]2CC(=O)c3c(O)cc([O-])cc3O2)cc1O
InChIInChI=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
InChIKeyAIONOLUJZLIMTK-AWEZNQCLSA-M
ChEBI Ontology
Outgoing Relation(s)
hesperetin(1−) (CHEBI:61249) is a flavonoid oxoanion (CHEBI:60038)
hesperetin(1−) (CHEBI:61249) is conjugate base of hesperetin (CHEBI:28230)
Incoming Relation(s)
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 anionChEBI
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