KEGG   COMPOUND: C10682Help
Entry
C10682                      Compound                               

Name
Matairesinol;
(-)-Matairesinol;
(3R,4R)-3,4-bis[(4-Hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Formula
C20H22O6
Exact mass
358.1416
Mol weight
358.3851
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00999  Biosynthesis of secondary metabolites - unclassified
map01061  Biosynthesis of phenylpropanoids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.331       1.14.19.72
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10682  Matairesinol
BRITE hierarchy
Other DBs
CAS: 580-72-3
PubChem: 12865
ChEBI: 6698
ChEMBL: CHEMBL425148
KNApSAcK: C00000606
PDB-CCD: MAX[PDBj]
3DMET: B04057
NIKKAJI: J14.221B
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1y C    25.2083  -24.8997
            2   C1y C    23.8018  -24.8997
            3   C1b C    26.4222  -25.6065
            4   C7x C    25.6398  -23.5761
            5   C1b C    22.5877  -25.6065
            6   C1x C    23.3633  -23.5761
            7   C8y C    27.6292  -24.8997
            8   O7x O    24.5015  -22.7469
            9   O6a O    26.8246  -22.8695
            10  C8y C    21.3740  -24.8997
            11  C8x C    28.8375  -25.6065
            12  C8x C    27.6234  -23.4991
            13  C8x C    20.1599  -25.6065
            14  C8x C    21.3740  -23.4991
            15  C8x C    30.0516  -24.8997
            16  C8y C    28.8375  -22.7994
            17  C8x C    18.9458  -24.8997
            18  C8y C    20.1599  -22.8052
            19  C8y C    30.0516  -23.4991
            20  C8y C    18.9458  -23.4991
            21  O1a O    31.2653  -22.7994
            22  O1a O    17.7319  -22.7994
            23  O2a O    20.1599  -21.4102
            24  C1a C    18.9519  -20.7127
            25  O2a O    28.8375  -21.4044
            26  C1a C    30.0457  -20.7069
BOND        28
            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 2
            10   10  14 1
            11   11  15 1
            12   12  16 2
            13   13  17 1
            14   14  18 2
            15   15  19 2
            16   17  20 2
            17   19  21 1
            18   20  22 1
            19    6   8 1
            20   16  19 1
            21   18  20 1
            22   18  23 1
            23    1   2 1
            24   23  24 1
            25    1   3 1 #Down
            26   16  25 1
            27    1   4 1
            28   25  26 1

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