KEGG   COMPOUND: C10577
Entry
C10577                      Compound                               
Name
Casimiroedine
Formula
C21H27N3O6
Exact mass
417.19
Mol weight
417.4556
Structure
Module
M00902  Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin
Other DBs
CAS: 5853-02-1
PubChem: 12760
ChEBI: 3451
KNApSAcK: C00002321
3DMET: B03971
NIKKAJI: J8.298H
LinkDB
KCF data

ATOM        30
            1   C1y C    28.0704  -21.6571
            2   N4y N    29.2649  -20.9578
            3   O2x O    26.8584  -20.9636
            4   C1y C    28.0704  -23.0614
            5   C8x C    30.4071  -20.1303
            6   C8x C    29.7019  -22.2922
            7   C1y C    25.6463  -21.6571
            8   C1y C    26.8584  -23.7606
            9   O1a O    29.2707  -23.7606
            10  C8y C    31.5434  -20.9578
            11  N5x N    31.1005  -22.2922
            12  C1y C    25.6463  -23.0614
            13  C1b C    24.4284  -20.9636
            14  O1a O    26.8467  -25.1649
            15  C1b C    32.7496  -20.2469
            16  O1a O    24.4284  -23.7547
            17  O1a O    23.2105  -21.6512
            18  C1b C    33.9724  -20.9300
            19  N1c N    35.1849  -20.2300
            20  C5a C    36.3973  -20.9300
            21  C2b C    37.6097  -20.2300
            22  C2b C    38.8222  -20.9300
            23  C8y C    40.0346  -20.2300
            24  C1a C    35.1849  -18.8302
            25  O5a O    36.3973  -22.3300
            26  C8x C    41.2511  -20.9323
            27  C8x C    42.4635  -20.2323
            28  C8x C    42.4635  -18.8323
            29  C8x C    41.2471  -18.1300
            30  C8x C    40.0346  -18.8300
BOND        32
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    7  13 1 #Up
            13    8  14 1 #Up
            14   10  15 1
            15   12  16 1 #Down
            16   13  17 1
            17    8  12 1
            18   10  11 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   19  24 1
            26   20  25 2
            27   23  26 2
            28   26  27 1
            29   27  28 2
            30   28  29 1
            31   29  30 2
            32   23  30 1

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