KEGG   COMPOUND: C04839
Entry
C04839                      Compound                               
Name
3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate
Formula
C12H20O13S
Exact mass
404.0625
Mol weight
404.35
Structure
Other DBs
PubChem: 7397
ChEBI: 1612
NIKKAJI: J2.755.924G
KCF data

ATOM        26
            1   C1y C    23.9878  -16.6071
            2   C1y C    22.8846  -15.9592
            3   O2a O    23.9819  -17.8796
            4   C1y C    25.1026  -15.9592
            5   C1y C    22.8846  -14.6750
            6   O2a O    21.7872  -16.5895
            7   C1y C    22.7154  -18.9244
            8   C1y C    25.1026  -14.6750
            9   O1a O    26.2001  -16.5955
            10  O2x O    23.9878  -14.0447
            11  C1b C    21.7872  -14.0447
            12  S4a S    20.5088  -16.5895
            13  C1y C    22.7154  -20.2085
            14  O2x O    21.6003  -18.2882
            15  O1a O    26.2001  -14.0387
            16  O1a O    21.7989  -12.5911
            17  O1d O    20.5088  -15.3171
            18  O1d O    19.2422  -16.5895
            19  O1d O    20.5031  -17.8562
            20  C1y C    21.6003  -20.8565
            21  O1a O    23.8185  -20.8390
            22  C1y C    20.5031  -18.9244
            23  C1y C    20.5031  -20.2085
            24  O2x O    20.4564  -21.7670
            25  C1x C    19.4874  -18.3641
            26  O1a O    18.8862  -21.1600
BOND        28
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     2   6 1 #Up
            6     7   3 1 #Down
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    5  11 1 #Up
            11    6  12 1
            12    7  13 1
            13    7  14 1
            14    8  15 1 #Down
            15   11  16 1
            16   12  17 1
            17   12  18 2
            18   12  19 2
            19   13  20 1
            20   13  21 1 #Down
            21   14  22 1
            22   20  23 1
            23   20  24 1 #Up
            24   22  25 1 #Up
            25   23  26 1 #Up
            26    8  10 1
            27   22  23 1
            28   24  25 1

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