KEGG   COMPOUND: C13805
Entry
C13805                      Compound                               
Name
N-Butyl-beta-carboline-3-carboxylate
Formula
C16H16N2O2
Exact mass
268.1212
Mol weight
268.3104
Structure
Other DBs
CAS: 84454-35-3
PubChem: 854050
ChEBI: 34867
NIKKAJI: J2.786.485F
LinkDB
KCF data

ATOM        20
            1   C8x C    21.9830  -17.0375
            2   C8x C    21.9830  -18.4381
            3   C8x C    23.1959  -19.1384
            4   C8y C    24.4088  -18.4381
            5   C8y C    24.4088  -17.0375
            6   C8x C    23.1959  -16.3372
            7   C8y C    25.7409  -18.8709
            8   C8y C    26.5642  -17.7378
            9   N4x N    25.7409  -16.6048
            10  C8x C    26.3107  -20.1505
            11  C8y C    27.7036  -20.2968
            12  N5x N    28.5268  -19.1638
            13  C8x C    27.9572  -17.8842
            14  C7a C    28.2799  -21.5918
            15  O7a O    29.6806  -21.7392
            16  O6a O    27.4484  -22.7357
            17  C1b C    30.4995  -20.6125
            18  C1b C    31.8749  -20.7575
            19  C1b C    32.6935  -19.6320
            20  C1a C    34.0693  -19.7773
BOND        22
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    7  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    8  13 2
            16   11  14 1
            17   14  15 1
            18   14  16 2
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1

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