KEGG   COMPOUND: C21183
Entry
C21183                      Compound                               
Name
Bursehernin;
(-)-Bursehernin;
(3R,4R)-4-(2H-1,3-Benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
Formula
C21H22O6
Exact mass
370.1416
Mol weight
370.39
Structure
Reaction
R11211 R11230
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00902  Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin
Enzyme
1.14.14.131     2.1.1.323
Other DBs
CAS: 40456-51-7
PubChem: 315431306
LinkDB
KCF data

ATOM        27
            1   C1y C    18.5981  -17.1995
            2   C1y C    17.1997  -17.1995
            3   C1b C    19.7867  -17.8987
            4   C7x C    19.0176  -15.8711
            5   C1b C    16.0111  -17.8987
            6   C1x C    16.7802  -15.8711
            7   C8y C    21.1152  -17.1995
            8   O7x O    17.8989  -15.0320
            9   O6a O    20.2762  -15.1719
            10  C8y C    14.7525  -17.1995
            11  C8x C    22.3039  -17.8987
            12  C8x C    21.1152  -15.8011
            13  C8x C    13.5639  -17.8987
            14  C8x C    14.7525  -15.8011
            15  C8x C    23.4925  -17.1995
            16  C8y C    22.3039  -15.1019
            17  C8x C    12.3752  -17.1995
            18  C8y C    13.5639  -15.1019
            19  C8y C    23.4925  -15.8011
            20  C8y C    12.3752  -15.8011
            21  O2a O    24.7511  -15.1019
            22  O2a O    22.3039  -13.7035
            23  C1a C    23.4925  -13.0043
            24  O2x O    13.2842  -13.7035
            25  C1x C    11.8858  -13.5637
            26  O2x O    11.3264  -14.8223
            27  C1a C    25.9397  -15.8711
BOND        30
            1     2   5 1 #Up
            2     2   6 1
            3     3   7 1
            4     4   8 1
            5     4   9 2
            6     5  10 1
            7     7  11 2
            8     7  12 1
            9    10  13 1
            10   10  14 2
            11   11  15 1
            12   12  16 2
            13   13  17 2
            14   14  18 1
            15   15  19 2
            16   17  20 1
            17   19  21 1
            18    6   8 1
            19   16  19 1
            20   18  20 2
            21    1   2 1
            22    1   3 1 #Down
            23   16  22 1
            24    1   4 1
            25   22  23 1
            26   18  24 1
            27   24  25 1
            28   25  26 1
            29   20  26 1
            30   21  27 1

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