KEGG   COMPOUND: C09598
Entry
C09598                      Compound                               

Name
Oxyacanthine
Formula
C37H40N2O6
Exact mass
608.2886
Mol weight
608.7233
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09598  Oxyacanthine
Other DBs
CAS: 548-40-3
PubChem: 11789
ChEBI: 7853
ChEMBL: CHEMBL2374739 CHEMBL509999
KNApSAcK: C00001897
3DMET: B03116
NIKKAJI: J22.608D
KCF data

ATOM        45
            1   C8y C    24.0100  -14.2100
            2   C8y C    25.2000  -14.9100
            3   C1y C    22.8900  -14.8400
            4   C8y C    24.0100  -12.8800
            5   O2x O    25.2000  -16.9400
            6   C8y C    26.3200  -14.2100
            7   C1x C    22.8900  -16.1700
            8   N1y N    21.7700  -14.2100
            9   C8x C    25.2000  -12.2500
            10  C1x C    22.8900  -12.2500
            11  C8y C    26.3200  -18.3400
            12  C8y C    26.3200  -12.8800
            13  O2a O    27.4400  -14.7000
            14  C8y C    21.8400  -16.6600
            15  C1x C    21.7700  -12.8800
            16  C1a C    20.5800  -14.8400
            17  C8y C    27.4400  -17.6400
            18  C8x C    26.3200  -19.6700
            19  O2a O    27.4400  -12.2500
            20  C8x C    21.8400  -17.9900
            21  C8x C    20.7200  -16.0300
            22  C8x C    28.6300  -18.2000
            23  O2a O    27.4400  -16.3800
            24  C8y C    27.5800  -20.2300
            25  C1a C    28.6300  -12.8800
            26  C8x C    20.7200  -18.6900
            27  C8x C    19.5300  -16.6600
            28  C8y C    28.6300  -19.5300
            29  C1a C    28.8400  -15.5400
            30  C1y C    27.5800  -21.5600
            31  C8y C    19.5300  -17.9900
            32  C1x C    29.8900  -20.0900
            33  C1x C    26.4600  -21.0000
            34  N1y N    28.8400  -22.1900
            35  O2x O    18.0600  -18.9000
            36  C1x C    29.8900  -21.4200
            37  C8y C    24.1500  -21.0000
            38  C8y C    21.8400  -20.9300
            39  C8x C    23.0300  -20.3000
            40  C8x C    24.1500  -22.3300
            41  C8y C    21.8400  -22.2600
            42  C8x C    22.9600  -22.9600
            43  C1a C    28.8400  -23.5900
            44  C1a C    28.7000  -13.8600
            45  O1a O    20.6155  -22.9387
BOND        51
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 1
            16   11  17 1
            17   11  18 2
            18   12  19 1
            19   14  20 2
            20   14  21 1
            21   17  22 2
            22   17  23 1
            23   18  24 1
            24   19  25 1
            25   20  26 1
            26   21  27 2
            27   22  28 1
            28   23  29 1
            29   24  30 1
            30   26  31 2
            31   28  32 1
            32   30  33 1
            33   30  34 1
            34   31  35 1
            35   32  36 1
            36   33  37 1
            37   35  38 1
            38   37  39 2
            39   37  40 1
            40   38  41 2
            41   40  42 2
            42    9  12 2
            43   10  15 1
            44   24  28 2
            45   27  31 1
            46   34  36 1
            47   38  39 1
            48   41  42 1
            49   34  43 1
            50   13  44 1
            51   41  45 1

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