KEGG   COMPOUND: C10557
Entry
C10557                      Compound                               
Name
Dihydroanhydropodorhizol;
Yatein;
(-)-Yatein;
(3R,4R)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxybenzyl)dihydrofuran-2(3H)-one
Formula
C22H24O7
Exact mass
400.1522
Mol weight
400.42
Structure
Reaction
R11210 R11545
Pathway
map00999  Biosynthesis of various plant secondary metabolites
map01061  Biosynthesis of phenylpropanoids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.20.8       2.1.1.330
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10557  Dihydroanhydropodorhizol
Other DBs
CAS: 40456-50-6
PubChem: 12740
ChEBI: 4553
KNApSAcK: C00002598
PDB-CCD: YTN[PDBj]
NIKKAJI: J257.868I
LinkDB
KCF data

ATOM        29
            1   C1y C    24.5164  -24.9149
            2   C1y C    23.1105  -24.9149
            3   C1b C    25.7302  -25.6213
            4   C7x C    24.9478  -23.5845
            5   C1b C    21.8969  -25.6213
            6   C1x C    22.6791  -23.5845
            7   C8y C    26.9437  -24.9149
            8   O7x O    23.8169  -22.7626
            9   O6a O    26.1149  -22.9142
            10  C8y C    20.6832  -24.9149
            11  C8x C    28.1517  -25.6213
            12  C8x C    26.9380  -23.5147
            13  C8x C    20.6189  -23.5147
            14  C8x C    19.4823  -25.6213
            15  C8y C    29.3655  -24.9149
            16  C8y C    28.1517  -22.8152
            17  C8y C    19.4939  -22.8152
            18  C8x C    18.2685  -24.9149
            19  C8y C    29.3655  -23.5147
            20  O2a O    30.5848  -25.6156
            21  O2a O    28.1517  -21.4148
            22  C8y C    18.2685  -23.5087
            23  O2x O    19.2013  -21.4381
            24  O2a O    30.5791  -22.8152
            25  C1a C    31.7915  -24.9149
            26  C1a C    29.3655  -20.7083
            27  O2x O    17.2240  -22.5702
            28  C1x C    17.8011  -21.2866
            29  C1a C    30.5801  -21.4205
BOND        32
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 2
            11    7  12 1
            12   10  13 2
            13   10  14 1
            14   11  15 1
            15   12  16 2
            16   13  17 1
            17   14  18 2
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 2
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28    6   8 1
            29   16  19 1
            30   18  22 1
            31   27  28 1
            32   24  29 1

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