KEGG   COMPOUND: C09543Help
Entry
C09543                      Compound                               

Name
Isochondrodendrine
Formula
C36H38N2O6
Exact mass
594.273
Mol weight
594.6967
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09543  Isochondrodendrine
BRITE hierarchy
Other DBs
CAS: 477-62-3
PubChem: 11734
ChEBI: 5996
ChEMBL: CHEMBL1169628
KNApSAcK: C00001870
3DMET: B03065
NIKKAJI: J37.073H
KCF data Show

ATOM        44
            1   C8y C    18.0372  -21.7535
            2   C1y C    16.9210  -22.4512
            3   C8y C    18.0372  -20.4278
            4   C8y C    19.2233  -22.4512
            5   N1y N    15.7349  -21.7535
            6   C1x C    16.9210  -23.7768
            7   C8x C    19.2233  -19.7302
            8   C1x C    16.8512  -19.7302
            9   C8y C    20.4094  -21.7535
            10  C1x C    15.7349  -20.4278
            11  C8y C    15.7349  -24.8233
            12  C8y C    20.4094  -20.4278
            13  O1a O    21.5256  -22.4512
            14  C8x C    14.6186  -24.1954
            15  C8x C    15.7349  -26.1489
            16  O2a O    21.5256  -19.7302
            17  C8x C    13.4325  -24.8233
            18  C8x C    14.6883  -26.8466
            19  C1a C    22.6419  -20.4278
            20  C8y C    13.4325  -26.1489
            21  O2x O    13.4365  -27.2666
            22  C1a C    14.6186  -22.4512
            23  O2x O    19.2233  -23.7768
            24  N1y N    20.6187  -29.2885
            25  C1y C    19.4326  -28.5908
            26  C1x C    20.6187  -30.7536
            27  C8y C    18.2465  -29.2885
            28  C1x C    21.5954  -27.6838
            29  C1x C    19.4326  -31.3816
            30  C8y C    18.2465  -30.6839
            31  C8y C    17.0604  -28.6606
            32  C8x C    20.3396  -26.2187
            33  C8x C    17.0604  -31.3816
            34  C8y C    15.8744  -29.2885
            35  C8y C    21.5954  -26.9164
            36  C8x C    20.3396  -24.8233
            37  C8y C    15.8744  -30.6839
            38  O1a O    14.6883  -28.5908
            39  C8x C    22.7815  -26.2187
            40  C8y C    21.5256  -24.1256
            41  O2a O    14.6883  -31.3816
            42  C8x C    22.7815  -24.7535
            43  C1a C    13.4325  -30.7536
            44  C1a C    21.8047  -28.5908
BOND        50
            1    20  21 1
            2     8  10 1
            3     9  12 1
            4    18  20 1
            5    22   5 1
            6     4  23 1
            7     1   2 1
            8     1   3 2
            9     1   4 1
            10    2   5 1
            11    2   6 1
            12    3   7 1
            13    3   8 1
            14    4   9 2
            15    5  10 1
            16    6  11 1
            17    7  12 2
            18    9  13 1
            19   11  14 2
            20   11  15 1
            21   12  16 1
            22   14  17 1
            23   15  18 2
            24   16  19 1
            25   17  20 2
            26   24  25 1
            27   24  26 1
            28   25  27 1
            29   25  28 1
            30   26  29 1
            31   27  30 2
            32   27  31 1
            33   30  33 1
            34   31  34 2
            35   32  35 2
            36   32  36 1
            37   33  37 2
            38   34  38 1
            39   35  39 1
            40   36  40 2
            41   37  41 1
            42   39  42 2
            43   41  43 1
            44   29  30 1
            45   34  37 1
            46   40  42 1
            47   24  44 1
            48   23  40 1
            49   35  28 1
            50   21  31 1

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