KEGG   COMPOUND: C10871Help
Entry
C10871                      Compound                               

Name
Picropodophyllin
Formula
C22H22O8
Exact mass
414.1315
Mol weight
414.4053
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10871  Picropodophyllin
BRITE hierarchy
Other DBs
CAS: 477-47-4
PubChem: 13054
ChEBI: 75251
KNApSAcK: C00002619 C00033300
3DMET: B05516
NIKKAJI: J112.698I
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    25.5176  -16.9395
            2   C8y C    25.5176  -18.3459
            3   C8y C    26.7394  -19.0455
            4   C8y C    27.9541  -18.3459
            5   C8x C    27.9541  -16.9395
            6   C8y C    26.7394  -16.2330
            7   C8x C    24.3227  -14.8215
            8   C8x C    24.3227  -12.0088
            9   C8y C    25.5374  -12.7156
            10  C8y C    25.5313  -14.1219
            11  C1y C    26.7472  -14.8266
            12  C1y C    26.7593  -12.0141
            13  C1y C    27.9750  -12.7259
            14  C1y C    28.0350  -14.1387
            15  C7x C    29.3059  -14.5829
            16  O7x O    30.1401  -13.4443
            17  C1x C    29.3221  -12.2939
            18  C8y C    23.1009  -14.1219
            19  C8y C    23.1075  -12.7201
            20  O2x O    21.7760  -12.2758
            21  C1x C    20.9512  -13.4075
            22  O2x O    21.7655  -14.5466
            23  O6a O    30.1457  -15.4926
            24  O1a O    26.7226  -10.5229
            25  O2a O    29.1734  -19.0446
            26  O2a O    26.7411  -20.4517
            27  O2a O    24.2992  -19.0462
            28  C1a C    30.3847  -18.3440
            29  C1a C    23.0801  -18.3471
            30  C1a C    27.9609  -21.1569
BOND        34
            1    13  14 1
            2    14  15 1
            3    15  16 1
            4    16  17 1
            5    17  13 1
            6     9   8 1
            7     8  19 2
            8     2   3 1
            9     3   4 2
            10    4   5 1
            11   18  19 1
            12   19  20 1
            13   20  21 1
            14   21  22 1
            15   22  18 1
            16    5   6 2
            17   15  23 2
            18   11   6 1 #Down
            19    9  10 2
            20   12  24 1 #Down
            21   10  11 1
            22   11  14 1
            23   13  12 1
            24   12   9 1
            25    4  25 1
            26    6   1 1
            27    3  26 1
            28    2  27 1
            29    1   2 2
            30   25  28 1
            31   18   7 2
            32   27  29 1
            33    7  10 1
            34   26  30 1

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