CHEBI:4353 - Decursin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Decursin
ChEBI ID CHEBI:4353
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB4742825, eMolecules:713322, eMolecules:29549802, ZINC000003814414
Download Molfile XML SDF
Formula C19H20O5
Net Charge 0
Average Mass 328.360
Monoisotopic Mass 328.13107
InChI InChI=1S/C19H20O5/c1-11(2)7-18(21)23-16-9-13-8-12-5-6-17(20)22-14(12)10-15(13)24-19(16,3)4/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
InChIKey CUKSFECWKQBVED-INIZCTEOSA-N
SMILES CC(C)=CC(=O)O[C@H]1Cc2cc3ccc(=O)oc3cc2OC1(C)C
ChEBI Ontology
Outgoing Decursin (CHEBI:4353) is a coumarins (CHEBI:23403)
Synonym Source
Decursin KEGG COMPOUND
Manual Xrefs Databases
C00002465 KNApSAcK
C09258 KEGG COMPOUND
View more database links
Registry Number Type Source
5928-25-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014