KEGG   DRUG: Methyl isobutyl ketone
Entry
D04989                      Drug                                   
Name
Methyl isobutyl ketone (NF)
Formula
C6H12O
Exact mass
100.0888
Mol weight
100.1589
Structure
Simcomp
Remark
Same as: C19263
Efficacy
Pharmaceutic aid (alcohol denaturant)
Other DBs
CAS: 108-10-1
PubChem: 47206719
ChEBI: 82344
LigandBox: D04989
NIKKAJI: J2.861D
KCF data

ATOM        7
            1   C1a C    13.6500  -14.6300
            2   C1c C    14.8624  -13.9300
            3   C1b C    16.0749  -14.6300
            4   C5a C    17.2873  -13.9300
            5   C1a C    18.4997  -14.6300
            6   O5a O    17.2873  -12.5300
            7   C1a C    14.8624  -12.5302
BOND        6
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     2   7 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (7)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   MASSBANK (1)   
   NIKKAJI (1)   
All databases (8)   

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