KEGG   COMPOUND: C13138
Entry
C13138                      Compound                               
Name
beta-Butoxyethyl nicotinate;
Nicoboxil
Formula
C12H17NO3
Exact mass
223.1208
Mol weight
223.2683
Structure
Remark
Same as: D01677
Other DBs
CAS: 13912-80-6
PubChem: 585202
ChEBI: 32322
NIKKAJI: J8.458A
LinkDB
KCF data

ATOM        16
            1   C1b C    25.6571  -17.0466
            2   O2a O    26.8720  -16.3393
            3   C1b C    24.4469  -16.3393
            4   C1b C    28.0809  -17.0466
            5   O7a O    23.2381  -17.0408
            6   C7a C    22.0291  -16.3333
            7   C8y C    20.8259  -17.0349
            8   O6a O    22.0234  -14.9372
            9   C8x C    19.6114  -16.3276
            10  C8x C    20.8319  -18.4368
            11  C8x C    18.4024  -17.0349
            12  N5x N    19.6171  -19.1312
            13  C8x C    18.4024  -18.4368
            14  C1b C    29.2964  -16.3544
            15  C1b C    30.5036  -17.0607
            16  C1a C    31.7189  -16.3683
BOND        16
            1     2   4 1
            2     3   5 1
            3     5   6 1
            4     6   7 1
            5     6   8 2
            6     7   9 2
            7     7  10 1
            8     9  11 1
            9    10  12 2
            10   11  13 2
            11   12  13 1
            12    4  14 1
            13    1   2 1
            14   14  15 1
            15    1   3 1
            16   15  16 1

» Japanese version

DBGET integrated database retrieval system