KEGG   COMPOUND: C11688Help
Entry
C11688                      Compound                               

Name
Asperlicin
Formula
C31H29N5O4
Exact mass
535.222
Mol weight
535.5931
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
Benzodiazepine family
Other DBs
CAS: 
93413-04-8
PubChem: 
KNApSAcK: 
NIKKAJI: 
KCF data Show

ATOM        40
            1   C8y C     4.4954   -7.6843
            2   N4y N     5.7595   -7.0921
            3   C8y C     7.0186   -7.7054
            4   C1y C     7.3203   -9.0625
            5   C8y C     4.1755   -9.0565
            6   N1x N     6.4473  -10.1602
            7   C5x C     5.0459  -10.1536
            8   C8x C     3.4735   -6.7274
            9   C8x C     2.1338   -7.1339
            10  C8x C     1.8140   -8.5061
            11  C8x C     2.8359   -9.4630
            12  N5x N     8.1789   -6.9220
            13  C8y C     8.0805   -5.5254
            14  C8y C     6.8213   -4.9121
            15  C8y C     5.6611   -5.6956
            16  C8x C     9.2407   -4.7419
            17  C8x C     9.1423   -3.3454
            18  C8x C     7.8832   -2.7321
            19  C8x C     6.7230   -3.5156
            20  O5x O     4.3998   -5.0813
            21  O5x O     4.4341  -11.4121
            22  C1b C     8.5624   -9.7300
            23  C1z C     9.7749   -9.0300
            24  C1y C    11.0060   -9.7410
            25  N1y N    12.0627   -8.7899
            26  C8y C    11.4846   -7.4910
            27  C8y C    10.0707   -7.6394
            28  C8x C    12.0542   -6.2121
            29  C8x C    11.2315   -5.0794
            30  C8x C     9.8175   -5.2278
            31  C8x C     9.2479   -6.5067
            32  N1x N    11.5841  -11.0399
            33  C1y C    12.9981  -10.8915
            34  C5x C    13.2938   -9.5009
            35  O1a O     9.7748  -10.4298
            36  O5x O    14.5708   -8.9326
            37  C1b C    13.9588  -11.9586
            38  C1c C    15.3588  -11.9586
            39  C1a C    16.0563  -13.1669
            40  C1a C    16.0463  -10.7672
BOND        46
            1     3   4 1
            2     1   5 2
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     1   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12    5  11 1
            13    3  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    2  15 1
            18   13  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   14  19 1
            23   15  20 2
            24    7  21 2
            25    4  22 1 #Down
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 2
            31   23  27 1
            32   26  28 1
            33   28  29 2
            34   29  30 1
            35   30  31 2
            36   27  31 1
            37   24  32 1
            38   32  33 1
            39   33  34 1
            40   25  34 1
            41   23  35 1
            42   34  36 2
            43   33  37 1 #Down
            44   37  38 1
            45   38  39 1
            46   38  40 1

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