CHEBI:80747 - Homobaldrinal

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ChEBI Name Homobaldrinal ChEBI ID CHEBI:80747 Stars This entity has been manually annotated by a third party. 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 C15H16O4 Net Charge 0 Average Mass 260.28510 Monoisotopic Mass 260.10486 InChI InChI=1S/C15H16O4/c1-10(2)5-15(17)19-8-12-7-18-9-14-11(6-16)3-4-13(12)14/h3-4,6-7,9-10H,5,8H2,1-2H3 InChIKey LTVSLKWNAZKBEX-UHFFFAOYSA-N SMILES CC(C)CC(=O)OCc1cocc2c(C=O)ccc12 ChEBI Ontology Outgoing Homobaldrinal (CHEBI:80747) is a fatty acid ester (CHEBI:35748) Synonyms Sources (7-formylcyclopenta[c]pyran-4-yl)methyl 3-methylbutanoate ChEBI Butanoic acid, 3-methyl-, (7-formylcyclopenta(c)pyran-4-yl)methyl ester NIST Chemistry WebBook Manual Xref Database C16812 KEGG COMPOUND View more database links Registry Numbers Types Sources 6212898 Reaxys Registry Number Reaxys 67910-07-0 CAS Registry Number KEGG COMPOUND 67910-07-0 CAS Registry Number NIST Chemistry WebBook 67910-07-0 CAS Registry Number ChemIDplus Last Modified 27 July 2018