KEGG   COMPOUND: C09100Help
Entry
C09100                      Compound                               

Name
Caracurine V
Formula
C38H40N4O2
Exact mass
584.3151
Mol weight
584.7498
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 630-87-5
PubChem: 11292
ChEBI: 3382
ChEMBL: CHEMBL312920 CHEMBL380352
KNApSAcK: C00001702
3DMET: B02683
NIKKAJI: J1.344.462E
KCF data Show

ATOM        44
            1   C8x C    23.5456  -16.9324
            2   C8x C    23.5485  -18.2427
            3   C8x C    24.6896  -18.8919
            4   C8x C    24.6838  -16.2711
            5   C8y C    25.8248  -16.9273
            6   C8y C    25.8277  -18.2376
            7   N1y N    27.1566  -18.7231
            8   C1y C    27.9666  -17.6042
            9   C1z C    27.1370  -16.4871
            10  C1x C    30.2086  -14.5386
            11  C1y C    29.6949  -19.0028
            12  C1x C    29.4105  -15.5311
            13  C1y C    28.1074  -15.3917
            14  C1y C    29.1793  -17.7810
            15  C1y C    29.9383  -16.7278
            16  C2y C    31.2424  -16.6690
            17  C2x C    32.1065  -17.6431
            18  O2x O    30.7307  -19.5459
            19  C1x C    31.8792  -18.9159
            20  N1y N    27.5773  -14.2057
            21  C1x C    26.3013  -14.3999
            22  C1x C    25.8275  -15.6096
            23  C8x C    32.4767  -22.1916
            24  C8x C    32.4738  -20.8813
            25  C8x C    31.3328  -20.2179
            26  C8x C    31.3386  -22.8529
            27  C8y C    30.1976  -22.1967
            28  C8y C    30.1947  -20.8864
            29  N1y N    28.8658  -20.4009
            30  C1y C    28.0557  -21.5198
            31  C1z C    28.8853  -22.6369
            32  C1x C    25.8138  -24.5854
            33  C1y C    26.3275  -20.1214
            34  C1x C    26.6119  -23.5931
            35  C1y C    27.9150  -23.7254
            36  C1y C    26.8431  -21.3359
            37  C1y C    26.0841  -22.3890
            38  C2y C    24.7800  -22.4550
            39  C2x C    23.9159  -21.4809
            40  O2x O    25.2917  -19.5713
            41  C1x C    24.1432  -20.1940
            42  N1y N    28.4450  -24.9183
            43  C1x C    29.7210  -24.7241
            44  C1x C    30.1948  -23.5146
BOND        56
            1     8  14 1
            2    15  12 1
            3    12  13 1
            4     1   2 1
            5     2   3 2
            6    23  24 1
            7    24  25 2
            8    25  28 1
            9    27  26 1
            10   26  23 2
            11   27  28 2
            12   14  15 1
            13    7   8 1
            14   15  16 1
            15   29  30 1
            16   30  31 1
            17   31  27 1
            18   28  29 1
            19    8   9 1
            20   16  17 2
            21   33  36 1
            22    9   5 1
            23    6   7 1
            24   17  19 1
            25   30  36 1
            26   37  34 1
            27   34  35 1
            28   18  19 1
            29   11  18 1
            30   36  37 1
            31    3   6 1
            32   37  38 1
            33   13  20 1
            34   38  39 2
            35    5   4 1
            36   20  21 1
            37   39  41 1
            38   40  41 1
            39   33  40 1
            40   11  14 1
            41   35  42 1
            42   21  22 1
            43   42  43 1
            44   43  44 1
            45   32  38 1
            46   42  32 1
            47   10  16 1
            48   20  10 1
            49    4   1 2
            50    7  33 1
            51   11  29 1
            52    5   6 2
            53   13   9 1
            54    9  22 1 #Up
            55   35  31 1
            56   31  44 1 #Up

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