KEGG   COMPOUND: C10557Help
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
400.4218
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.20.8       2.1.1.330
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10557  Dihydroanhydropodorhizol
BRITE hierarchy
Other DBs
CAS: 40456-50-6
PubChem: 12740
ChEBI: 4553
ChEMBL: CHEMBL471067
KNApSAcK: C00002598
3DMET: B03955
NIKKAJI: J257.868I
KCF data Show

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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