CHEBI:79614 - coumestrol diacetate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name coumestrol diacetate ChEBI ID CHEBI:79614 Definition A member of the class of coumestans that is the diacetate ester derivative of coumestrol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C19H12O7 Net Charge 0 Average Mass 352.29440 Monoisotopic Mass 352.05830 InChI InChI=1S/C19H12O7/c1-9(20)23-11-3-5-13-15(7-11)25-18-14-6-4-12(24-10(2)21)8-16(14)26-19(22)17(13)18/h3-8H,1-2H3 InChIKey AHOLUZZXIVWXQQ-UHFFFAOYSA-N SMILES CC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(OC(C)=O)ccc12 ChEBI Ontology Outgoing coumestrol diacetate (CHEBI:79614) has functional parent coumestrol (CHEBI:3908) coumestrol diacetate (CHEBI:79614) is a δ-lactone (CHEBI:18946) coumestrol diacetate (CHEBI:79614) is a acetate ester (CHEBI:47622) coumestrol diacetate (CHEBI:79614) is a coumestans (CHEBI:72577) IUPAC Name 6-oxo-6H-[1]benzofuro[3,2-c][1]benzopyran-3,9-diyl diacetate Manual Xref Database C15095 KEGG COMPOUND View more database links Registry Numbers Types Sources 346826 Reaxys Registry Number Reaxys 35826-57-4 CAS Registry Number ChemIDplus Citation Type Source 14089631 PubMed citation Europe PMC Last Modified 12 June 2015