EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:60006 - laricitrin(1−)

ChEBI IDCHEBI:60006
ChEBI Namelaricitrin(1−)
Stars
ASCII Namelaricitrin(1-)
DefinitionThe conjugate base of laricitrin arising from deprotonation of the 3-OH group; major species at pH 7.3.
Last Modified4 February 2013
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H11O8
Net Charge-1
Average Mass331.256
Monoisotopic Mass331.04594
SMILESCOc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2[O-])cc(O)c1O
InChIInChI=1S/C16H12O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,17-20,22H,1H3/p-1
InChIKeyCFYMYCCYMJIYAB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
laricitrin(1−) (CHEBI:60006) is a flavonol oxoanion (CHEBI:58588)
laricitrin(1−) (CHEBI:60006) is conjugate base of laricitrin (CHEBI:31763)
Incoming Relation(s)
laricitrin (CHEBI:31763) is conjugate acid of laricitrin(1−) (CHEBI:60006)
IUPAC Name 
2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-olate
Synonyms  Source
laricitrin 3-olateChEBI
laricitrin anionChEBI
UniProt Name  Source
laricitrinUniProt
Manual XrefsDatabases
CPD-8605MetaCyc