CHEBI:180305 - 6-Methylheptan-2,4-dione

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ChEBI Name 6-Methylheptan-2,4-dione
ChEBI ID CHEBI:180305
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O2
Net Charge 0
Average Mass 142.198
Monoisotopic Mass 142.09938
InChI InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h6H,4-5H2,1-3H3
InChIKey IGMOYJSFRIASIE-UHFFFAOYSA-N
SMILES O=C(CC(C)C)CC(=O)C
ChEBI Ontology
Outgoing 6-Methylheptan-2,4-dione (CHEBI:180305) is a β-diketone (CHEBI:67265)
IUPAC Name
6-methylheptane-2,4-dione
Manual Xrefs Databases
68831 ChemSpider
LMFA12000040 LIPID MAPS
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Registry Number Type Source
3002-23-1 CAS Registry Number ChemIDplus