KEGG   DRUG: Butylated hydroxytoluene
Entry
D02413                      Drug                                   
Name
Butylated hydroxytoluene (NF)
Formula
C15H24O
Exact mass
220.1827
Mol weight
220.3505
Structure
Simcomp
Remark
Same as: C14693
Efficacy
Pharmaceutic aid (antioxidant)
Other DBs
CAS: 128-37-0
PubChem: 7849471
ChEBI: 34247
PDB-CCD: 3IM[PDBj]
LigandBox: D02413
NIKKAJI: J2.939D
KCF data

ATOM        16
            1   C8y C    19.9841  -16.6732
            2   C8x C    19.9841  -18.0816
            3   C8y C    21.2039  -18.7858
            4   C8x C    22.4235  -18.0816
            5   C8y C    22.4235  -16.6732
            6   C8y C    21.2039  -15.9690
            7   C1d C    18.7645  -15.9690
            8   C1d C    23.6447  -15.9682
            9   C1a C    24.8658  -16.6732
            10  C1a C    23.6447  -14.5606
            11  C1a C    17.5440  -16.6736
            12  C1a C    18.7645  -14.5606
            13  C1a C    21.2039  -20.1942
            14  O1a O    21.2039  -14.7015
            15  C1a C    24.8667  -15.2648
            16  C1a C    17.5429  -15.2648
BOND        16
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 1
            11    7  11 1
            12    7  12 1
            13    3  13 1
            14    6  14 1
            15    8  15 1
            16    7  16 1

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Drug (1)   
   LigandBox (1)   
Chemical substance (8)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (9)   

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