KEGG   COMPOUND: C09935
Entry
C09935                      Compound                               

Name
Catheduline E2
Formula
C38H40N2O11
Exact mass
700.2632
Mol weight
700.731
Structure
Other DBs
CAS: 61231-06-9
PubChem: 12121
ChEBI: 3471
KNApSAcK: C00001967
3DMET: B03393
NIKKAJI: J2.771.375K
KCF data

ATOM        51
            1   C1z C    27.7147  -22.6069
            2   C1z C    27.7206  -21.2163
            3   C1x C    28.9122  -23.3023
            4   O2x O    27.7769  -23.9337
            5   C1y C    26.5161  -23.2966
            6   C1y C    28.9238  -20.5266
            7   C1y C    26.5161  -20.5207
            8   C1b C    27.4403  -19.8663
            9   C1y C    30.1223  -22.6126
            10  C1z C    30.1073  -23.9511
            11  C1x C    25.3129  -22.6069
            12  C1a C    26.5044  -24.6813
            13  C1y C    30.1280  -21.2279
            14  O7a O    28.9122  -19.1417
            15  C1y C    25.3129  -21.2163
            16  O7a O    26.5044  -19.1360
            17  O7a O    28.0243  -18.6280
            18  C1a C    29.4260  -25.1426
            19  C1a C    30.6478  -25.2176
            20  O7a O    31.3079  -20.5207
            21  C7a C    30.1047  -18.4404
            22  O7a O    24.1200  -20.5207
            23  C7a C    25.3072  -18.4404
            24  C7a C    27.6794  -17.2911
            25  C7a C    32.5111  -21.2046
            26  O6a O    30.0921  -17.0557
            27  C7a C    22.9227  -21.2104
            28  C1a C    24.1143  -19.1360
            29  O6a O    25.3713  -17.0557
            30  C8y C    28.3845  -16.1021
            31  O6a O    26.3285  -17.0027
            32  O6a O    33.7097  -20.5033
            33  C8y C    32.5054  -22.5893
            34  C1a C    21.7184  -20.5150
            35  O6a O    22.9170  -22.4546
            36  C8x C    29.7599  -16.1213
            37  N5x N    30.4648  -14.9393
            38  C8x C    29.7906  -13.7394
            39  C8x C    28.4116  -13.7217
            40  C8x C    27.7068  -14.9038
            41  C8y C    31.5210  -18.4347
            42  C8x C    32.2342  -19.6622
            43  C8x C    33.6503  -19.6564
            44  C8x C    34.3535  -18.4232
            45  C8x C    33.6405  -17.1958
            46  C8x C    32.2242  -17.2087
            47  C8x C    31.3062  -23.2692
            48  C8x C    31.3005  -24.6539
            49  C8x C    32.4937  -25.3513
            50  N5x N    33.7696  -24.6639
            51  C8x C    33.7053  -23.2792
BOND        56
            1     8  17 1
            2    10  18 1
            3    10  19 1
            4    13  20 1 #Down
            5    14  21 1
            6    15  22 1 #Down
            7    16  23 1
            8    17  24 1
            9    20  25 1
            10   21  26 2
            11   22  27 1
            12   23  28 1
            13   23  29 2
            14   24  30 1
            15   24  31 2
            16   25  32 2
            17   25  33 1
            18   27  34 1
            19   27  35 2
            20    9  10 1 #Up
            21    9  13 1
            22   11  15 1
            23    1   2 1
            24    1   3 1
            25    1   4 1 #Up
            26    1   5 1
            27   30  36 2
            28   36  37 1
            29   37  38 2
            30   38  39 1
            31   39  40 2
            32   40  30 1
            33    2   6 1
            34   21  41 1
            35    2   7 1
            36    2   8 1 #Down
            37    3   9 1
            38   10   4 1
            39    5  11 1
            40   41  42 2
            41   42  43 1
            42   43  44 2
            43   44  45 1
            44   45  46 2
            45   46  41 1
            46    5  12 1 #Down
            47    6  13 1
            48    6  14 1 #Up
            49    7  15 1
            50    7  16 1 #Down
            51   33  47 2
            52   47  48 1
            53   48  49 2
            54   49  50 1
            55   50  51 2
            56   51  33 1

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