KEGG   COMPOUND: C10556
Entry
C10556                      Compound                               
Name
Deoxypodophyllotoxin;
(-)-Deoxypodophyllotoxin;
(5R,5aR,8aR)-5-(3,4,5-Trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5a)-one
Formula
C22H22O7
Exact mass
398.1366
Mol weight
398.40
Structure
Reaction
R11210 R12127
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00902  Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin
Enzyme
1.14.20.8
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10556  Deoxypodophyllotoxin
Other DBs
CAS: 19186-35-7
PubChem: 12739
ChEBI: 4429
KNApSAcK: C00002597
NIKKAJI: J16.374K
LinkDB
KCF data

ATOM        29
            1   C1y C    25.9682  -15.3947
            2   C8y C    24.7644  -14.6881
            3   C1y C    27.1839  -14.7057
            4   C8y C    25.9625  -16.7913
            5   C8y C    24.7703  -13.2916
            6   C8x C    23.5604  -15.3887
            7   C1y C    27.1898  -13.3031
            8   C7x C    28.5164  -15.1378
            9   C8x C    24.7470  -17.4755
            10  C8x C    27.1664  -17.4872
            11  C1x C    25.9799  -12.6015
            12  C8x C    23.5604  -12.5958
            13  C8y C    22.3507  -14.6881
            14  C1x C    28.5221  -12.8760
            15  O7x O    29.3396  -14.0097
            16  O6a O    28.9425  -16.4760
            17  C8y C    24.8110  -18.8721
            18  C8y C    27.1605  -18.8838
            19  C8y C    22.3507  -13.2916
            20  O2x O    21.0184  -15.1261
            21  C8y C    25.9449  -19.5785
            22  O2a O    23.5196  -19.5611
            23  O2a O    28.3704  -19.5902
            24  O2x O    21.0243  -12.8526
            25  C1x C    20.1952  -13.9863
            26  O2a O    26.0032  -20.9752
            27  C1a C    22.3040  -18.8605
            28  C1a C    29.5859  -18.9013
            29  C1a C    24.7119  -21.6710
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   12  19 2
            19   13  20 1
            20   17  21 2
            21   17  22 1
            22   18  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   26  29 1
            29    7  11 1
            30   13  19 1
            31   14  15 1
            32   18  21 1
            33   24  25 1

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