KEGG   COMPOUND: C10556Help
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
398.4059
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10556  Deoxypodophyllotoxin
BRITE hierarchy
Other DBs
CAS: 19186-35-7
PubChem: 12739
ChEBI: 4429
ChEMBL: CHEMBL152144 CHEMBL63970
KNApSAcK: C00002597
3DMET: B03954
NIKKAJI: J16.374K
KCF data Show

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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