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CHEBI:3248 - Butyrylmallotochromene

ChEBI IDCHEBI:3248
ChEBI NameButyrylmallotochromene
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILESCCCC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C)c2OC)c(O)c2c1OC(C)(C)C=C2
InChIInChI=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
InChIKeyKQDGTUWOPKXJII-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Butyrylmallotochromene (CHEBI:3248) is a 1-benzopyran (CHEBI:38443)
Synonym  Source
ButyrylmallotochromeneKEGG COMPOUND
Manual XrefsDatabases
C08997KEGG COMPOUND
C00002418KNApSAcK
Registry NumbersSources
CAS:116979-51-2KEGG COMPOUND