EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198839 - Ruakuric acid

ChEBI IDCHEBI:198839
ChEBI NameRuakuric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14O6
Net Charge0
Average Mass266.249
Monoisotopic Mass266.07904
SMILESCOC1CC(C(=O)O)Oc2ccc(C(C)=O)c(O)c21
InChIInChI=1S/C13H14O6/c1-6(14)7-3-4-8-11(12(7)15)9(18-2)5-10(19-8)13(16)17/h3-4,9-10,15H,5H2,1-2H3,(H,16,17)
InChIKeyCGGAQALKXMDCPN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) - DOI (10.1016/0031-9422(96)00224-5)
ChEBI Ontology
Outgoing Relation(s)
Ruakuric acid (CHEBI:198839) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
6-acetyl-5-hydroxy-4-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
Manual XrefsDatabases
7971077ChemSpider