EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:19623 - 2-hydroxy-7-hydroxymethylchromene-2-carboxylate

ChEBI IDCHEBI:19623
ChEBI Name2-hydroxy-7-hydroxymethylchromene-2-carboxylate
Stars
Secondary ChEBI IDCHEBI:34284
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H10O5
Net Charge0
Average Mass222.196
Monoisotopic Mass222.05282
SMILESO=C(O)C1(O)C=Cc2ccc(CO)cc2O1
InChIInChI=1S/C11H10O5/c12-6-7-1-2-8-3-4-11(15,10(13)14)16-9(8)5-7/h1-5,12,15H,6H2,(H,13,14)
InChIKeyRAPNWMUVBAAVEA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-7-hydroxymethylchromene-2-carboxylate (CHEBI:19623) is a chromenemonocarboxylate (CHEBI:38674)
2-hydroxy-7-hydroxymethylchromene-2-carboxylate (CHEBI:19623) is a chromenol (CHEBI:39436)
Synonyms  Source
2-hydroxy-7-hydroxymethylchromene-2-carboxylateChEBI
2-Hydroxy-7-hydroxymethylchromene-2-carboxylateKEGG COMPOUND
Manual XrefsDatabases
c0708UM-BBD
C14106KEGG COMPOUND
Registry NumbersSources
CAS:156605-24-2KEGG COMPOUND