KEGG   COMPOUND: C17046Help
Entry
C17046                      Compound                               

Name
Phellodendrine
Formula
C20H24NO4
Exact mass
342.1705
Mol weight
342.4089
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 6873-13-8
PubChem: 96023524
ChEBI: 80886
KNApSAcK: C00027160
NIKKAJI: J476.063H
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    27.0060  -24.6494
            2   C8y C    27.0060  -23.2488
            3   C1x C    28.2189  -25.3496
            4   C1x C    29.4318  -24.6494
            5   N2y N    29.4318  -23.2488 #+
            6   C1y C    28.2189  -22.5485
            7   C1x C    30.6447  -22.5485
            8   C8y C    30.6447  -21.1480
            9   C8y C    29.4318  -20.4477
            10  C1x C    28.2189  -21.1480
            11  C8x C    25.7931  -22.5485
            12  C8y C    24.5802  -23.2488
            13  C8y C    24.5802  -24.6494
            14  C8x C    25.7931  -25.3496
            15  O1a O    23.3673  -22.5485
            16  O2a O    23.3673  -25.3496
            17  C1a C    22.1714  -24.6590
            18  C1a C    30.6447  -23.9491
            19  C8x C    31.8577  -20.4477
            20  C8y C    31.8577  -19.0472
            21  C8y C    30.6447  -18.3469
            22  C8x C    29.4318  -19.0472
            23  O2a O    33.0747  -18.3446
            24  O1a O    30.6447  -16.9467
            25  C1a C    34.2589  -19.0287
BOND        28
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    6  10 1
            12    2  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    1  14 2
            17   12  15 1
            18   13  16 1
            19   16  17 1
            20    5  18 1 #Up
            21    8  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25    9  22 2
            26   20  23 1
            27   21  24 1
            28   23  25 1

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