KEGG   COMPOUND: C04597
Entry
C04597                      Compound                               
Name
1,2-Bis(3,4-dimethoxyphenyl)propane-1,3-diol;
1,2-Bis(3,4-dimethoxyphenyl)-1,3-propanediol
Formula
C19H24O6
Exact mass
348.1573
Mol weight
348.3903
Structure
Reaction
Enzyme
Other DBs
PubChem: 7194
ChEBI: 27670
NIKKAJI: J1.902.178E
LinkDB
KCF data

ATOM        25
            1   C8y C    26.9072  -17.5700
            2   C1c C    28.1343  -16.8923
            3   C8x C    25.7061  -16.8449
            4   C8x C    26.8805  -18.9582
            5   C1c C    28.1601  -15.4896
            6   C1b C    29.3319  -17.6115
            7   C8x C    24.4817  -17.5139
            8   C8y C    25.6623  -19.6382
            9   C8y C    29.4064  -14.7941
            10  O1a O    26.9624  -14.7704
            11  O1a O    29.3061  -19.0141
            12  C8y C    24.5345  -18.9190
            13  C8x C    29.4332  -13.4058
            14  C8x C    30.6075  -15.5189
            15  O2a O    23.2376  -19.5966
            16  C8y C    30.6570  -12.7225
            17  C8x C    31.8376  -14.8470
            18  C1a C    22.0396  -18.8772
            19  C8y C    31.8549  -13.4419
            20  O2a O    30.6774  -11.3231
            21  O2a O    33.0762  -12.7674
            22  C1a C    31.8957  -10.6428
            23  C1a C    34.2797  -13.4836
            24  O2a O    25.6898  -21.0682
            25  C1a C    24.3865  -21.7322
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    9  13 2
            13    9  14 1
            14   12  15 1
            15   13  16 1
            16   14  17 2
            17   15  18 1
            18   16  19 2
            19   16  20 1
            20   19  21 1
            21   20  22 1
            22   21  23 1
            23    8  12 2
            24   17  19 1
            25    8  24 1
            26   24  25 1

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