KEGG   COMPOUND: C12167
Entry
C12167                      Compound                               
Name
Cherylline
Formula
C17H19NO3
Exact mass
285.1365
Mol weight
285.3377
Structure
Other DBs
CAS: 23367-61-5
PubChem: 14314
ChEBI: 31391
KNApSAcK: C00024372 C00024385 C00028042
NIKKAJI: J16.304J
LinkDB
KCF data

ATOM        21
            1   C8y C    26.2286  -21.6167
            2   C8y C    26.2286  -23.0179
            3   C8x C    27.4460  -23.7219
            4   C8x C    27.4460  -20.9197
            5   C8y C    28.6501  -21.6167
            6   C8y C    28.6501  -23.0179
            7   C1x C    29.8644  -23.7219
            8   N1y N    31.0718  -23.0179
            9   C1x C    31.0718  -21.6167
            10  C1y C    29.8644  -20.9197
            11  C8y C    29.8660  -19.5212
            12  C8x C    31.0733  -18.8172
            13  C8x C    31.0733  -17.4160
            14  C8y C    29.8660  -16.7190
            15  C8x C    28.6516  -17.4160
            16  C8x C    28.6516  -18.8172
            17  O1a O    29.8660  -15.3178
            18  C1a C    32.2863  -23.7219
            19  O1a O    25.0145  -23.7226
            20  O2a O    25.0145  -20.9192
            21  C1a C    23.7998  -21.6157
BOND        23
            1    10   5 1
            2     1   2 1
            3     2   3 2
            4     3   6 1
            5     5   4 1
            6     4   1 2
            7    11  12 1
            8    12  13 2
            9    13  14 1
            10   14  15 2
            11   15  16 1
            12   16  11 2
            13   10  11 1 #Down
            14    5   6 2
            15   14  17 1
            16    6   7 1
            17    8  18 1
            18    7   8 1
            19    2  19 1
            20    8   9 1
            21    1  20 1
            22    9  10 1
            23   20  21 1

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