EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:192323 - Rutaretin

ChEBI IDCHEBI:192323
ChEBI NameRutaretin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILES[H][C@@]1(C(C)(C)O)Cc2cc3ccc(=O)oc3c(O)c2O1
InChIInChI=1S/C14H14O5/c1-14(2,17)9-6-8-5-7-3-4-10(15)19-12(7)11(16)13(8)18-9/h3-5,9,16-17H,6H2,1-2H3/t9-/m0/s1
InChIKeyFVFQELHSZVFPDZ-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Ovis aries (ncbitaxon:9940) Rumen (NCIT:C98778) MetaboLights (MTBLS3683)
ChEBI Ontology
Outgoing Relation(s)
Rutaretin (CHEBI:192323) is a psoralens (CHEBI:26369)
IUPAC Name 
(2S)-9-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrouro[3,2-g]chromen-7-one
Manual XrefsDatabases
29365150ChemSpider
Registry NumbersSources
CAS:13895-92-6ChemIDplus