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CHEBI:50100 - 3-(ethoxycarbonyl)psoralen

ChEBI IDCHEBI:50100
ChEBI Name3-(ethoxycarbonyl)psoralen
Stars
Last Modified2 March 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H10O5
Net Charge0
Average Mass258.229
Monoisotopic Mass258.05282
SMILESCCOC(=O)c1cc2cc3ccoc3cc2oc1=O
InChIInChI=1S/C14H10O5/c1-2-17-13(15)10-6-9-5-8-3-4-18-11(8)7-12(9)19-14(10)16/h3-7H,2H2,1H3
InChIKeyCFQAMEDTKHNQTP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(ethoxycarbonyl)psoralen (CHEBI:50100) is a ethyl ester (CHEBI:23990)
3-(ethoxycarbonyl)psoralen (CHEBI:50100) is a psoralens (CHEBI:26369)
IUPAC Name 
ethyl 7-oxo-7H-furo[3,2-g]chromene-6-carboxylate
Synonyms  Source
3-CarbethoxypsoralenChemIDplus
3-EthoxycarbonylpsoralenChemIDplus
3-CPsChemIDplus
Ethyl 3-psoralencarboxylateChemIDplus
Manual XrefsDatabases
C19357KEGG COMPOUND
Registry NumbersSources
Beilstein:278285Beilstein
CAS:20073-24-9ChemIDplus
CAS:20073-24-9KEGG COMPOUND