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CHEBI:2082 - 5-hydroxyxanthotoxin

ChEBI IDCHEBI:2082
ChEBI Name5-hydroxyxanthotoxin
Stars
DefinitionA member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5.
Last Modified22 October 2014
DownloadsMolfile
FormulaC12H8O5
Net Charge0
Average Mass232.191
Monoisotopic Mass232.03717
SMILESCOc1c2occc2c(O)c2ccc(=O)oc12
InChIInChI=1S/C12H8O5/c1-15-12-10-7(4-5-16-10)9(14)6-2-3-8(13)17-11(6)12/h2-5,14H,1H3
InChIKeyXPFCGZWOHNGDSP-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
5-hydroxyxanthotoxin (CHEBI:2082) has functional parent methoxsalen (CHEBI:18358)
5-hydroxyxanthotoxin (CHEBI:2082) has role metabolite (CHEBI:25212)
5-hydroxyxanthotoxin (CHEBI:2082) is a psoralens (CHEBI:26369)
5-hydroxyxanthotoxin (CHEBI:2082) is conjugate acid of 5-hydroxyxanthotoxin(1−) (CHEBI:78326)
Incoming Relation(s)
5-hydroxyxanthotoxin(1−) (CHEBI:78326) is conjugate base of 5-hydroxyxanthotoxin (CHEBI:2082)
IUPAC Name 
4-hydroxy-9-methoxy-7H-furo[3,2-g]chromen-7-one
Synonyms  Source
5-HydroxyxanthotoxinKEGG COMPOUND
5-hydroxy-8-methoxypsoralenChEBI
4-hydroxy-9-methoxy-7H-furo[3,2-g]benzopyran-7-oneChEBI
Manual XrefsDatabases
C02951KEGG COMPOUND
Registry NumbersSources
Reaxys:226874Reaxys
Citations