KEGG   COMPOUND: C18056
Entry
C18056                      Compound                               
Name
N-Desmethylzolmitriptan;
183C91
Formula
C15H19N3O2
Exact mass
273.1477
Mol weight
273.3303
Structure
Other DBs
CAS: 139264-35-0
PubChem: 96024276
ChEBI: 81475
NIKKAJI: J1.179.581A
LinkDB
KCF data

ATOM        20
            1   C8y C    26.7588  -22.9719
            2   C8y C    26.7588  -24.3849
            3   C8y C    28.1135  -22.5514
            4   C8x C    25.5674  -22.2769
            5   N4x N    28.1135  -24.8170
            6   C8x C    25.5674  -25.0739
            7   C8x C    28.8960  -23.6784
            8   C1b C    28.5865  -21.2551
            9   C8y C    24.3529  -22.9719
            10  C8x C    24.3529  -24.4259
            11  C1b C    29.9471  -20.9864
            12  C1b C    23.1267  -22.2185
            13  N1b N    30.4084  -19.6493
            14  C1y C    21.9063  -22.9252
            15  N1x N    21.8829  -24.2799
            16  C1x C    20.5632  -22.4405
            17  C7x C    20.5339  -24.7002
            18  O7x O    19.7516  -23.5675
            19  O6a O    20.0318  -26.0434
            20  C1a C    31.7516  -19.3894
BOND        22
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     6  10 2
            10    8  11 1
            11    9  12 1
            12   11  13 1
            13   14  12 1 #Up
            14   14  15 1
            15   14  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19    5   7 1
            20    9  10 1
            21   17  18 1
            22   13  20 1

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