KEGG   COMPOUND: C10553Help
Entry
C10553                      Compound                               

Name
4'-Demethylpodophyllotoxin
Formula
C21H20O8
Exact mass
400.1158
Mol weight
400.3787
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10553  4'-Demethylpodophyllotoxin
BRITE hierarchy
Other DBs
CAS: 40505-27-9
PubChem: 12736
ChEBI: 1730
ChEMBL: CHEMBL28941
KNApSAcK: C00002595
3DMET: B03951
NIKKAJI: J53.987B
KCF data Show

ATOM        29
            1   C1y C    26.0039  -16.2768
            2   C8y C    24.8067  -15.5702
            3   C1y C    27.2188  -15.5876
            4   C8y C    26.0039  -17.6605
            5   C8y C    24.8126  -14.1863
            6   C8x C    23.6152  -16.2708
            7   C1y C    27.2188  -14.1922
            8   C7x C    28.5315  -16.0202
            9   C8x C    24.7893  -18.3380
            10  C8x C    27.2012  -18.3496
            11  C1y C    26.0156  -13.4973
            12  C8x C    23.6152  -13.4914
            13  C8y C    22.4191  -15.5702
            14  C1x C    28.5372  -13.7783
            15  O7x O    29.3616  -14.8986
            16  O6a O    28.9583  -17.3457
            17  C8y C    24.7833  -19.7217
            18  C8y C    27.2595  -19.7392
            19  O1a O    25.9990  -11.7517
            20  C8y C    22.4250  -14.1806
            21  O2x O    21.0876  -15.9970
            22  C8y C    25.9865  -20.4282
            23  O2a O    23.5685  -20.4108
            24  O2a O    28.3858  -20.4456
            25  O2x O    21.0935  -13.7609
            26  C1x C    20.2764  -14.8753
            27  O1a O    25.9749  -21.8179
            28  C1a C    22.3724  -19.7043
            29  C1a C    29.5947  -19.7509
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 2
            18   11  19 1 #Down
            19   12  20 2
            20   13  21 1
            21   17  22 2
            22   17  23 1
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   24  29 1
            29    7  11 1
            30   13  20 1
            31   14  15 1
            32   18  22 1
            33   25  26 1

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