KEGG   COMPOUND: C21148
Entry
C21148                      Compound                               

Name
Asperlicin E
Formula
C25H18N4O3
Exact mass
422.1379
Mol weight
422.4354
Structure
Reaction
Enzyme
Other DBs
CAS: 93413-05-9
PubChem: 313046628
KCF data

ATOM        32
            1   C8y C    16.2629  -16.8213
            2   N4y N    17.3794  -16.2629
            3   C8y C    18.7058  -16.8213
            4   C1y C    19.0548  -18.1474
            5   C8y C    15.9139  -18.1474
            6   N1y N    18.1474  -19.2641
            7   C5x C    16.8213  -19.2641
            8   C8x C    15.2159  -15.8441
            9   C8x C    13.8898  -16.2629
            10  C8x C    13.6106  -17.6588
            11  C8x C    14.5878  -18.5662
            12  N5x N    19.8223  -16.0535
            13  C8y C    19.8225  -14.6576
            14  C8y C    18.5662  -14.0992
            15  C8y C    17.3796  -14.8669
            16  C8x C    21.0091  -14.0992
            17  C8x C    21.0091  -12.5636
            18  C8x C    19.8225  -11.8657
            19  C8x C    18.5664  -12.6332
            20  O5x O    16.1233  -14.2388
            21  O5x O    16.1931  -20.5205
            22  C1y C    18.9291  -20.4722
            23  C1z C    20.3196  -20.1021
            24  C1x C    20.3972  -18.6653
            25  N1x N    18.8514  -21.9090
            26  C8y C    20.1939  -22.4269
            27  C8y C    21.1013  -21.3101
            28  C8x C    20.6935  -23.7347
            29  C8x C    22.0759  -23.9560
            30  C8x C    22.9833  -22.8392
            31  C8x C    22.4837  -21.5314
            32  O1a O    21.6570  -19.7459
BOND        38
            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    6  22 1
            26   22  23 1
            27   23  24 1
            28    4  24 1 #Down
            29   22  25 1
            30   25  26 1
            31   26  27 1
            32   23  27 1
            33   26  28 2
            34   28  29 1
            35   29  30 2
            36   30  31 1
            37   27  31 2
            38   23  32 1 #Up

» Japanese version

DBGET integrated database retrieval system