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CHEBI:17377 - bergaptol

Default Structure
ChEBI IDCHEBI:17377
ChEBI Namebergaptol
Stars
Secondary ChEBI IDsCHEBI:3068, CHEBI:12136, CHEBI:13894, CHEBI:22755, CHEBI:22756
Last Modified28 July 2014
DownloadsMolfile
FormulaC11H6O4
Net Charge0
Average Mass202.165
Monoisotopic Mass202.02661
SMILESO=c1ccc2c(O)c3ccoc3cc2o1
InChIInChI=1S/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
InChIKeyGIJHDGJRTUSBJR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
bergaptol(1−) (CHEBI:77728) is conjugate base of bergaptol (CHEBI:17377)
IUPAC Name 
4-hydroxy-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
5-HydroxyfuranocoumarinKEGG COMPOUND
5-HydroxypsoralenKEGG COMPOUND
BergaptolKEGG COMPOUND
Manual XrefsDatabases
C00000581KNApSAcK
C00758KEGG COMPOUND
C00758KEGG COMPOUND
Registry NumbersSources
CAS:486-60-2KEGG COMPOUND
CAS:486-60-2ChemIDplus