KEGG   COMPOUND: C09643Help
Entry
C09643                      Compound                               

Name
Sinomenine
Formula
C19H23NO4
Exact mass
329.1627
Mol weight
329.3902
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09643  Sinomenine
Major components of natural products [BR:br08323]
 Crude drugs
  Sinomenium stem
   C09643  Sinomenine
BRITE hierarchy
Other DBs
CAS: 115-53-7
PubChem: 11833
ChEBI: 9163
ChEMBL: CHEMBL1591798 CHEMBL248095
KNApSAcK: C00001918
3DMET: B03156
NIKKAJI: J5.269H
KCF data Show

ATOM        24
            1   C1z C    28.1809  -16.6074
            2   C8y C    28.1752  -15.2488
            3   C1y C    29.3529  -17.3012
            4   C1x C    26.9972  -17.2838
            5   C1x C    29.3471  -15.9251
            6   C8y C    29.3529  -14.5666
            7   C8y C    26.9915  -14.5666
            8   C1y C    30.5366  -16.6132
            9   C2x C    29.3471  -18.6482
            10  C5x C    26.9856  -18.6307
            11  C1x C    31.7028  -15.9368
            12  C1x C    30.5425  -15.2547
            13  C8x C    29.3529  -13.2022
            14  C8y C    26.9915  -13.2022
            15  O1a O    25.7962  -15.2371
            16  N1y N    31.7145  -17.3129
            17  C2y C    28.1576  -19.3304
            18  O5x O    25.7962  -19.3246
            19  C8x C    28.1809  -12.5142
            20  O2a O    25.8078  -12.5142
            21  C1a C    33.0439  -16.9514
            22  O2a O    28.1459  -20.7007
            23  C1a C    24.6182  -13.1905
            24  C1a C    26.9622  -21.3771
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1 #Down
            16    9  17 2
            17   10  18 2
            18   13  19 2
            19   14  20 1
            20   16  21 1
            21   17  22 1
            22   20  23 1
            23   22  24 1
            24    8  12 1
            25   10  17 1
            26   11  16 1
            27   14  19 1

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