EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:59948 - columbianetin

ChEBI IDCHEBI:59948
ChEBI Namecolumbianetin
Stars
DefinitionThe angular furanocoumarin analogue of the linear furanocoumarin marmesin.
Last Modified3 August 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCC(C)(O)C1Cc2c(ccc3ccc(=O)oc23)O1
InChIInChI=1S/C14H14O4/c1-14(2,16)11-7-9-10(17-11)5-3-8-4-6-12(15)18-13(8)9/h3-6,11,16H,7H2,1-2H3
InChIKeyYRAQEMCYCSSHJG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
columbianetin (CHEBI:59948) is a furanocoumarin (CHEBI:24128)
columbianetin (CHEBI:59948) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
(R)-columbianetin (CHEBI:3828) is a columbianetin (CHEBI:59948)
(S)-columbianetin (CHEBI:437678) is a columbianetin (CHEBI:59948)
IUPAC Name 
8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one
Synonyms  Source
(±)-columbianetinChEBI
8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-oneChEBI
Registry NumbersSources
Beilstein:200954Beilstein
CAS:1147-29-1ChemIDplus