KEGG   COMPOUND: C13664
Entry
C13664                      Compound                               
Name
Bufotenidine;
N,N,N-Trimethylserotonin;
5-HTQ
Formula
C13H19N2O
Exact mass
219.1497
Mol weight
219.3028
Structure
Other DBs
CAS: 487-91-2
PubChem: 586257
ChEBI: 31879
NIKKAJI: J39.890J
KCF data

ATOM        16
            1   C8y C    26.1315  -14.1558
            2   C8y C    26.1315  -12.7458
            3   C8y C    27.4769  -14.5828
            4   C8x C    24.9146  -14.8579
            5   N4x N    27.4711  -12.3248
            6   C8x C    24.9146  -12.0379
            7   C8x C    28.2903  -13.4478
            8   C8y C    23.7095  -14.1558
            9   C8x C    23.7095  -12.7518
            10  O1a O    22.4984  -14.8579
            11  C1b C    27.9151  -15.9001
            12  C1b C    29.2987  -16.1843
            13  N1d N    30.2490  -15.1138 #+
            14  C1a C    31.6130  -15.3937
            15  C1a C    29.8079  -13.7883
            16  C1a C    31.2414  -13.7247
BOND        17
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 2
            5     4   8 2
            6     6   9 2
            7     8  10 1
            8     5   7 1
            9     8   9 1
            10    1   2 2
            11    1   3 1
            12    3  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   13  15 1
            17   13  16 1

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