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CHEBI:179943 - 3-(Hydroxymethyl)-2-heptanone

ChEBI IDCHEBI:179943
ChEBI Name3-(Hydroxymethyl)-2-heptanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H16O2
Net Charge0
Average Mass144.214
Monoisotopic Mass144.11503
SMILESCCCCC(CO)C(C)=O
InChIInChI=1S/C8H16O2/c1-3-4-5-8(6-9)7(2)10/h8-9H,3-6H2,1-2H3
InChIKeyMHOXVRWQBOAOAU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(Hydroxymethyl)-2-heptanone (CHEBI:179943) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
3-(hydroxymethyl)heptan-2-one
Manual XrefsDatabases
HMDB0036165HMDB
4515076ChemSpider
LMFA05000623LIPID MAPS
Registry NumbersSources
CAS:65405-68-7ChemIDplus