EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177798 - 4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one

ChEBI IDCHEBI:177798
ChEBI Name4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H16O6
Net Charge0
Average Mass304.298
Monoisotopic Mass304.09469
SMILESCC(C)(O)C(O)COc1c2ccoc2cc2oc(=O)ccc12
InChIInChI=1S/C16H16O6/c1-16(2,19)13(17)8-21-15-9-3-4-14(18)22-12(9)7-11-10(15)5-6-20-11/h3-7,13,17,19H,8H2,1-2H3
InChIKeyPEWFWDOPJISUOK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one (CHEBI:177798) is a psoralens (CHEBI:26369)
IUPAC Name 
4-(2,3-dihydroxy-3-methylbutoxy)uro[3,2-g]chromen-7-one
Manual XrefsDatabases
424032ChemSpider