CHEBI:17377 - bergaptol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name bergaptol
ChEBI ID CHEBI:17377
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12136, CHEBI:3068, CHEBI:13894, CHEBI:22755, CHEBI:22756
Supplier Information
Download Molfile XML SDF
Formula C11H6O4
Net Charge 0
Average Mass 202.16294
Monoisotopic Mass 202.02661
InChI InChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKey GIJHDGJRTUSBJR-UHFFFAOYSA-N
SMILES Oc1c2ccoc2cc2oc(=O)ccc12
ChEBI Ontology
Outgoing bergaptol (CHEBI:17377) is a 5-hydroxyfurocoumarin (CHEBI:52058)
bergaptol (CHEBI:17377) is a psoralens (CHEBI:26369)
bergaptol (CHEBI:17377) is conjugate acid of bergaptol(1−) (CHEBI:77728)
Incoming bergaptol(1−) (CHEBI:77728) is conjugate base of bergaptol (CHEBI:17377)
IUPAC Name
4-hydroxy-7H-furo[3,2-g]chromen-7-one
Synonyms Sources
5-Hydroxyfuranocoumarin KEGG COMPOUND
5-Hydroxypsoralen KEGG COMPOUND
Bergaptol KEGG COMPOUND
Manual Xrefs Databases
C00000581 KNApSAcK
C00758 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
486-60-2 CAS Registry Number KEGG COMPOUND
486-60-2 CAS Registry Number ChemIDplus
Last Modified
28 July 2014