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
370.3958
Structure
Reaction
Pathway
map00998  Biosynthesis of various secondary metabolites - part 2
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00902  Podophyllotoxin biosynthesis, coniferyl alcohol => podophyllotoxin
Enzyme
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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