KEGG   COMPOUND: C10875
Entry
C10875                      Compound                               
Name
Podophyllotoxone
Formula
C22H20O8
Exact mass
412.1158
Mol weight
412.3894
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10875  Podophyllotoxone
Other DBs
CAS: 477-49-6
PubChem: 13058
ChEBI: 8281
KNApSAcK: C00002620
3DMET: B04179
NIKKAJI: J398.679I
LinkDB
KCF data

ATOM        30
            1   C8x C    23.1866  -22.1500
            2   C8x C    23.1866  -19.3436
            3   C8y C    24.3286  -20.0486
            4   C8y C    24.3927  -21.4519
            5   C1y C    25.6059  -22.1552
            6   C5x C    25.6179  -19.3489
            7   C1y C    26.8309  -20.0590
            8   C1y C    26.8184  -21.4614
            9   C7x C    28.1487  -21.9044
            10  O7x O    28.9788  -20.7756
            11  C1x C    28.1687  -19.6396
            12  C8y C    21.9676  -21.4519
            13  C8y C    21.9742  -20.0532
            14  O2x O    20.6456  -19.6100
            15  C1x C    19.8225  -20.7391
            16  O2x O    20.6351  -21.8758
            17  C8y C    25.6020  -23.5584
            18  C8x C    24.3871  -24.2545
            19  C8y C    24.3830  -25.6576
            20  C8y C    25.5972  -26.3592
            21  C8y C    26.8152  -25.6645
            22  C8x C    26.8192  -24.2613
            23  O5x O    25.6238  -17.9456
            24  O6a O    28.9280  -23.0245
            25  O2a O    28.0294  -26.3661
            26  O2a O    25.5932  -27.7624
            27  O2a O    23.1649  -26.3522
            28  C1a C    29.2477  -25.6714
            29  C1a C    26.8072  -28.4708
            30  C1a C    21.9509  -25.6508
BOND        34
            1    14  15 1
            2    15  16 1
            3    16  12 1
            4     2  13 2
            5     5  17 1 #Down
            6    12   1 2
            7     1   4 1
            8     3   2 1
            9     7   8 1
            10   17  18 2
            11   18  19 1
            12   19  20 2
            13   20  21 1
            14   21  22 2
            15   22  17 1
            16    8   9 1
            17    6  23 2
            18    9  10 1
            19    9  24 2
            20   10  11 1
            21   11   7 1
            22    3   4 2
            23    4   5 1
            24   21  25 1
            25    5   8 1
            26   20  26 1
            27    7   6 1
            28   19  27 1
            29    6   3 1
            30   25  28 1
            31   12  13 1
            32   26  29 1
            33   13  14 1
            34   27  30 1

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