KEGG   COMPOUND: C13690
Entry
C13690                      Compound                               

Name
Dopamine 3-O-sulfate;
Dopamine 3-sulfate
Formula
C8H11NO5S
Exact mass
233.0358
Mol weight
233.2416
Structure
Other DBs
CAS: 51317-41-0
PubChem: 586279
ChEBI: 37946
NIKKAJI: J532.218I
KCF data

ATOM        15
            1   C8y C    27.0200  -15.8200
            2   C8x C    25.7600  -15.1200
            3   C8x C    27.0200  -17.2200
            4   C1b C    28.2100  -15.1200
            5   C8y C    24.5700  -15.8200
            6   C8x C    25.7600  -17.9200
            7   C1b C    29.4700  -15.8200
            8   C8y C    24.5700  -17.2200
            9   O2a O    23.3800  -15.1200
            10  N1a N    30.6600  -15.1200
            11  O1a O    23.3800  -17.9200
            12  S4a S    21.9800  -15.1200
            13  O1d O    21.9800  -13.7200
            14  O1d O    21.9800  -16.5200
            15  O1d O    20.5800  -15.1200
BOND        15
            1     2   5 2
            2     3   6 1
            3     4   7 1
            4     5   8 1
            5     5   9 1
            6     7  10 1
            7     8  11 1
            8     6   8 2
            9     9  12 1
            10    1   2 1
            11   12  13 2
            12    1   3 2
            13   12  14 2
            14    1   4 1
            15   12  15 1

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