KEGG   COMPOUND: C01207
Entry
C01207                      Compound                               
Name
3-(3,4-Dihydroxyphenyl)lactate;
3,4-Dihydroxyphenyllactic acid
Formula
C9H10O5
Exact mass
198.0528
Mol weight
198.1727
Structure
Other DBs
CAS: 23028-17-3
PubChem: 4430
ChEBI: 17807
KNApSAcK: C00031720
3DMET: B04781
NIKKAJI: J493.965D
LinkDB
KCF data

ATOM        14
            1   C8x C    12.5300  -12.9500
            2   C8y C    12.5300  -14.3500
            3   C8y C    13.7424  -15.0500
            4   C8x C    14.9549  -14.3500
            5   C8y C    14.9549  -12.9500
            6   C8x C    13.7424  -12.2500
            7   C1b C    16.1924  -12.2500
            8   C1c C    17.4049  -12.9500
            9   C6a C    18.6173  -12.2500
            10  O6a O    19.8297  -12.9500
            11  O1a O    17.4049  -14.3498
            12  O6a O    18.6173  -10.8500
            13  O1a O    11.3176  -15.0500
            14  O1a O    13.7424  -16.4498
BOND        14
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    8  11 1
            12    9  12 2
            13    2  13 1
            14    3  14 1

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