CHEBI:3248 - Butyrylmallotochromene

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ChEBI Name Butyrylmallotochromene ChEBI ID CHEBI:3248 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 C26H30O8 Net Charge 0 Average Mass 470.513 Monoisotopic Mass 470.19407 InChI InChI=1S/C26H30O8/c1-7-8-17(28)19-22(31)15(21(30)14-9-10-26(4,5)34-25(14)19)11-16-23(32)18(13(3)27)20(29)12(2)24(16)33-6/h9-10,29-32H,7-8,11H2,1-6H3 InChIKey KQDGTUWOPKXJII-UHFFFAOYSA-N SMILES CCCC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c2C=CC(C)(C)Oc12 ChEBI Ontology Outgoing Butyrylmallotochromene (CHEBI:3248) is a 1-benzopyran (CHEBI:38443) Synonym Source Butyrylmallotochromene KEGG COMPOUND Manual Xrefs Databases C00002418 KNApSAcK C08997 KEGG COMPOUND View more database links Registry Number Type Source 116979-51-2 CAS Registry Number KEGG COMPOUND Last Modified 28 July 2014