CHEBI:59948 - columbianetin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name columbianetin
ChEBI ID CHEBI:59948
Definition The angular furanocoumarin analogue of the linear furanocoumarin marmesin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H14O4
Net Charge 0
Average Mass 246.25860
Monoisotopic Mass 246.08921
InChI InChI=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
InChIKey YRAQEMCYCSSHJG-UHFFFAOYSA-N
SMILES CC(C)(O)C1Cc2c(O1)ccc1ccc(=O)oc21
ChEBI Ontology
Outgoing columbianetin (CHEBI:59948) is a furanocoumarin (CHEBI:24128)
columbianetin (CHEBI:59948) is a tertiary alcohol (CHEBI:26878)
Incoming (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 Sources
(±)-columbianetin ChEBI
8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one ChEBI
Registry Numbers Types Sources
1147-29-1 CAS Registry Number ChemIDplus
200954 Beilstein Registry Number Beilstein
Last Modified
03 August 2010