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Metabolite A (2-acetonyl-7-hydroxy-5-methylchromone)
SpectraBase Compound ID 4lUxcl1CbNd
InChI InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3
InChIKey JHELBXAAAYUKCT-UHFFFAOYSA-N
Mol Weight 232.23 g/mol
Molecular Formula C13H12O4
Exact Mass 232.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24momtzyng
Name Metabolite A (2-acetonyl-7-hydroxy-5-methylchromone)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12O4
InChI InChI=1S/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3
InChIKey JHELBXAAAYUKCT-UHFFFAOYSA-N
Molecular Weight 232.235 g/mol
SMILES Oc1cc(c2C(C=C(Oc2c1)CC(=O)C)=O)C
SPLASH splash10-0006-5940000000-79220f9aff8480e51c7d
Source of Spectrum E1-39-708-3
Synonyms 2-Acetonyl-7-hydroxy-5-methyl-chromen-4-one 2-Acetonyl-7-hydroxy-5-methyl-chromone 7-Hydroxy-5-methyl-2-(2-oxopropyl)-1-benzopyran-4-one 5-Methyl-7-oxidanyl-2-(2-oxidanylidenepropyl)chromen-4-one 7-Hydroxy-5-methyl-2-(2-oxopropyl)chromen-4-one 7-Hydroxy-5-methyl-2-(2-oxopropyl)-4H-chromen-4-one
Wiley ID 1518844