KEGG   COMPOUND: C16644
Entry
C16644                      Compound                               
Name
1-(3,4-Dimethoxyphenyl)ethane-1,2-diol
Formula
C10H14O4
Exact mass
198.0892
Mol weight
198.22
Structure
Reaction
R04461
Enzyme
1.11.1.14
Other DBs
PubChem: 51090969
ChEBI: 17007
NIKKAJI: J1.252.359I
LinkDB
KCF data

ATOM        14
            1   C8y C    28.1240  -20.4275
            2   C1c C    28.1240  -21.8293
            3   C8x C    29.3394  -19.7267
            4   C8x C    26.9217  -19.7331
            5   O1a O    29.3394  -22.5300
            6   C1b C    26.9154  -22.5300
            7   C8y C    29.3457  -18.3315
            8   C8x C    26.9154  -18.3380
            9   O1a O    25.7001  -21.8293
            10  C8y C    28.1240  -17.6371
            11  O2a O    30.5609  -17.6306
            12  O2a O    28.1240  -16.2355
            13  C1a C    31.7697  -18.3315
            14  C1a C    29.3329  -15.5346
BOND        14
            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     6   9 1
            9     7  10 1
            10    7  11 1
            11   10  12 1
            12   11  13 1
            13   12  14 1
            14    8  10 2

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