KEGG   COMPOUND: C09596Help
Entry
C09596                      Compound                               

Name
Obaberine
Formula
C38H42N2O6
Exact mass
622.3043
Mol weight
622.7499
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09596  Obaberine
BRITE hierarchy
Other DBs
CAS: 1263-80-5
PubChem: 11787
ChEBI: 7712
ChEMBL: CHEMBL464525
KNApSAcK: C00001895
3DMET: B03114
NIKKAJI: J14.946B
KCF data Show

ATOM        46
            1   C8y C    26.7400  -14.3500
            2   C8y C    27.9300  -15.0500
            3   C1y C    25.6200  -14.9800
            4   C8y C    26.7400  -13.0200
            5   O2x O    27.9300  -17.0800
            6   C8y C    29.0500  -14.3500
            7   C1x C    25.6200  -16.3100
            8   N1y N    24.5000  -14.3500
            9   C8x C    27.9300  -12.3900
            10  C1x C    25.6200  -12.3900
            11  C8y C    29.0500  -18.4800
            12  C8y C    29.0500  -13.0200
            13  O2a O    30.1700  -14.8400
            14  C8y C    24.5700  -16.8000
            15  C1x C    24.5000  -13.0200
            16  C1a C    23.3100  -14.9800
            17  C8y C    30.1700  -17.7800
            18  C8x C    29.0500  -19.8100
            19  O2a O    30.1700  -12.3900
            20  C8x C    24.5700  -18.1300
            21  C8x C    23.4500  -16.1700
            22  C8x C    31.3600  -18.3400
            23  O2a O    30.1700  -16.5200
            24  C8y C    30.3100  -20.3700
            25  C1a C    31.3600  -13.0200
            26  C8x C    23.4500  -18.8300
            27  C8x C    22.2600  -16.8000
            28  C8y C    31.3600  -19.6700
            29  C1a C    31.5700  -15.6800
            30  C1y C    30.3100  -21.7000
            31  C8y C    22.2600  -18.1300
            32  C1x C    32.6200  -20.2300
            33  C1x C    29.1900  -21.1400
            34  N1y N    31.5700  -22.3300
            35  O2x O    20.7900  -19.0400
            36  C1x C    32.6200  -21.5600
            37  C8y C    26.8800  -21.1400
            38  C8y C    24.5700  -21.0700
            39  C8x C    25.7600  -20.4400
            40  C8x C    26.8800  -22.4700
            41  C8y C    24.5700  -22.4000
            42  C8x C    25.6900  -23.1000
            43  O2a O    23.3100  -23.0300
            44  C1a C    31.5700  -23.7300
            45  C1a C    31.4373  -14.0098
            46  C1a C    22.1417  -22.2586
BOND        52
            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   41  43 1
            50   34  44 1
            51   13  45 1
            52   43  46 1

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