KEGG   COMPOUND: C19263
Entry
C19263                      Compound                               
Name
Methyl isobutyl ketone;
4-Methylpentan-2-one
Formula
C6H12O
Exact mass
100.0888
Mol weight
100.16
Structure
Remark
Same as: D04989
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C19263  4-Methylpentan-2-one
Other DBs
CAS: 108-10-1
PubChem: 124489935
ChEBI: 82344
LIPIDMAPS: LMFA12000033
LinkDB
KCF data

ATOM        7
            1   C1a C    10.7800  -16.8000
            2   C1c C    11.9924  -16.1000
            3   C1b C    13.2049  -16.8000
            4   C5a C    14.4173  -16.1000
            5   C1a C    15.6297  -16.8000
            6   C1a C    11.9924  -14.7002
            7   O5a O    14.4173  -14.7000
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1
            6     4   7 2

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