KEGG   COMPOUND: C11366
Entry
C11366                      Compound                               
Name
SN-38 carboxylate form
Formula
C22H21N2O6
Exact mass
409.14
Mol weight
409.4119
Structure
Other DBs
PubChem: 13540
ChEBI: 8989
NIKKAJI: J620.502J
LinkDB
KCF data

ATOM        30
            1   C8y C    28.3684  -16.0041
            2   C8x C    26.8767  -18.4209
            3   C8y C    28.9452  -17.2783
            4   O5x O    29.2214  -14.9485
            5   C8y C    28.1338  -18.4134
            6   C8y C    26.1513  -17.1393
            7   N4y N    26.9692  -15.9991
            8   C1x C    26.1332  -14.8720
            9   C8y C    24.8116  -16.7143
            10  C8y C    24.8022  -15.3152
            11  C8y C    23.5904  -14.6347
            12  N5x N    23.6094  -17.4257
            13  C8y C    22.3270  -16.7378
            14  C8y C    22.3813  -15.3431
            15  C8x C    21.1736  -14.6574
            16  C8y C    19.9677  -15.3592
            17  C8x C    19.9770  -16.7538
            18  C8x C    21.1921  -17.4467
            19  O1a O    18.7473  -14.6696
            20  C1b C    23.5778  -13.2302
            21  C1a C    22.3562  -12.5356
            22  C1b C    30.3600  -17.2783
            23  O1a O    31.0674  -16.0531
            24  C1d C    28.7818  -19.6636
            25  C6a C    30.1967  -19.6636
            26  O1a O    28.7818  -21.0785
            27  C1b C    27.3670  -19.6636
            28  C1a C    26.6596  -20.8889
            29  O6a O    30.9087  -20.8971
            30  O6a O    30.9059  -18.4352 #-
BOND        33
            1     7   8 1
            2     8  10 1
            3     9   6 1
            4     1   3 1
            5     1   4 2
            6     2   5 1
            7     9  10 2
            8    10  11 1
            9    11  14 2
            10   13  12 2
            11   12   9 1
            12   13  14 1
            13   14  15 1
            14   15  16 2
            15   16  17 1
            16   17  18 2
            17   18  13 1
            18    3   5 2
            19    7   1 1
            20   16  19 1
            21   11  20 1
            22    6   2 2
            23   20  21 1
            24    6   7 1
            25    3  22 1
            26   22  23 1
            27    5  24 1
            28   24  25 1
            29   24  26 1 #Up
            30   24  27 1 #Down
            31   27  28 1
            32   25  29 2
            33   25  30 1

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