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CHEBI:175835 - Diacetylfusarochromanone

ChEBI IDCHEBI:175835
ChEBI NameDiacetylfusarochromanone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O6
Net Charge0
Average Mass376.409
Monoisotopic Mass376.16344
SMILESCC(=O)NC(COC(C)=O)CC(=O)c1ccc2c(c1N)C(=O)CC(C)(C)O2
InChIInChI=1S/C19H24N2O6/c1-10(22)21-12(9-26-11(2)23)7-14(24)13-5-6-16-17(18(13)20)15(25)8-19(3,4)27-16/h5-6,12H,7-9,20H2,1-4H3,(H,21,22)
InChIKeyNJAMLUYVOHURJN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diacetylfusarochromanone (CHEBI:175835) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
[2-acetamido-4-(5-amino-2,2-dimethyl-4-oxo-3H-chromen-6-yl)-4-oxobutyl] acetate
Manual XrefsDatabases
HMDB0038971HMDB
35014705ChemSpider
Registry NumbersSources
CAS:104653-91-0ChemIDplus