KEGG   COMPOUND: C13691
Entry
C13691                      Compound                               
Name
Dopamine 4-O-sulfate
Formula
C8H11NO5S
Exact mass
233.0358
Mol weight
233.2416
Structure
Other DBs
CAS: 38339-02-5
PubChem: 586280
ChEBI: 34729
NIKKAJI: J440.827F
LinkDB
KCF data

ATOM        15
            1   O2a O    26.6000  -17.6400
            2   S4a S    25.2000  -17.6400
            3   O1d O    25.2000  -16.2400
            4   O1d O    25.2000  -19.0400
            5   O1d O    23.8000  -17.6400
            6   C8y C    30.2400  -15.5400
            7   C8x C    29.0500  -14.8400
            8   C8x C    30.2400  -16.9400
            9   C1b C    31.4300  -14.8400
            10  C8y C    27.8600  -15.5400
            11  C8x C    29.0500  -17.6400
            12  C1b C    32.6900  -15.5400
            13  C8y C    27.8600  -16.9400
            14  O1a O    26.6000  -14.8400
            15  N1a N    33.8800  -14.8400
BOND        15
            1     2   3 2
            2     1   2 1
            3     2   4 2
            4     2   5 1
            5     6   7 1
            6     6   8 2
            7     6   9 1
            8     7  10 2
            9     8  11 1
            10    9  12 1
            11   10  13 1
            12   10  14 1
            13   12  15 1
            14   13   1 1
            15   11  13 2

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