CHEBI:50100 - 3-(ethoxycarbonyl)psoralen

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(ethoxycarbonyl)psoralen
ChEBI ID CHEBI:50100
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H10O5
Net Charge 0
Average Mass 258.22620
Monoisotopic Mass 258.05282
InChI InChI=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
InChIKey CFQAMEDTKHNQTP-UHFFFAOYSA-N
SMILES CCOC(=O)c1cc2cc3ccoc3cc2oc1=O
ChEBI Ontology
Outgoing 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 Sources
3-Carbethoxypsoralen ChemIDplus
3-CPs ChemIDplus
3-Ethoxycarbonylpsoralen ChemIDplus
Ethyl 3-psoralencarboxylate ChemIDplus
Manual Xref Database
C19357 KEGG COMPOUND
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Registry Numbers Types Sources
20073-24-9 CAS Registry Number KEGG COMPOUND
20073-24-9 CAS Registry Number ChemIDplus
278285 Beilstein Registry Number Beilstein
Last Modified
02 March 2015