KEGG   COMPOUND: C12227Help
Entry
C12227                      Compound                               

Name
Chelerythrine
Formula
C21H18NO4
Exact mass
348.1236
Mol weight
348.3719
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Others
   Others
    C12227  Chelerythrine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Others
    C12227  Chelerythrine
BRITE hierarchy
Other DBs
CAS: 34316-15-9
PubChem: 14372
ChEBI: 78373
ChEMBL: CHEMBL13045
KNApSAcK: C00024634 C00024660
PDB-CCD: CTI[PDBj]
NIKKAJI: J19.428J
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8y C    28.7632  -18.8725
            2   C8y C    27.5520  -18.1505
            3   C8y C    30.0618  -18.1795
            4   N5y N    28.7573  -20.2757 #+
            5   C8y C    26.3350  -18.8433
            6   C8x C    27.5695  -16.7473
            7   C8y C    30.0034  -16.7822
            8   C8x C    31.1795  -18.8958
            9   C8x C    27.5287  -20.9570
            10  C1a C    29.9742  -20.9687
            11  C8y C    26.3117  -20.2466
            12  C8x C    25.1240  -18.1331
            13  C8x C    28.7922  -16.0719
            14  C8x C    31.2144  -16.1009
            15  C8y C    25.1065  -20.9511
            16  C8x C    23.9013  -18.8375
            17  C8y C    23.8897  -20.2407
            18  O2a O    25.1650  -22.3485
            19  O2a O    22.6668  -20.9161
            20  C1a C    21.4675  -20.2058
            21  C1a C    23.8829  -23.0351
            22  C8y C    32.4081  -16.8054
            23  C8y C    32.3974  -18.2030
            24  O2x O    33.7235  -18.6449
            25  C1x C    34.5532  -17.5205
            26  O2x O    33.7405  -16.3836
BOND        30
            1     3   7 1
            2     3   8 2
            3     4   9 2
            4     4  10 1
            5     5  11 2
            6     5  12 1
            7     6  13 2
            8     7  14 2
            9     8  23 1
            10   11  15 1
            11   12  16 2
            12   14  22 1
            13   15  17 2
            14   15  18 1
            15   17  19 1
            16   19  20 1
            17    7  13 1
            18    9  11 1
            19   16  17 1
            20   18  21 1
            21    1   2 2
            22    1   3 1
            23    1   4 1
            24    2   5 1
            25    2   6 1
            26   22  23 2
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  22 1

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