KEGG   COMPOUND: C10890Help
Entry
C10890                      Compound                               

Name
(+)-Syringaresinol O-beta-D-glucoside;
Acanthoside B
Formula
C28H36O13
Exact mass
580.2156
Mol weight
580.5776
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignan glycosides
    C10890  (+)-Syringaresinol O-beta-D-glucoside
BRITE hierarchy
Other DBs
CAS: 7374-79-0
PubChem: 13073
ChEBI: 28603
ChEMBL: CHEMBL1077080
KNApSAcK: C00002632
3DMET: B04194
NIKKAJI: J292.920A
KCF data Show

ATOM        41
            1   C1y C    26.4220  -22.1867
            2   C1y C    27.8198  -22.2041
            3   C1y C    26.0419  -23.5144
            4   C1x C    25.9423  -20.8708
            5   C1y C    28.2058  -20.8006
            6   C1x C    28.2820  -23.4384
            7   C8y C    24.8312  -24.2163
            8   O2x O    27.1941  -24.2923
            9   O2x O    27.0479  -20.0168
            10  C8y C    29.3172  -20.0051
            11  C8x C    24.8370  -25.5966
            12  C8x C    23.6439  -23.5144
            13  C8x C    30.5162  -20.7012
            14  C8x C    29.3172  -18.6190
            15  C8y C    23.6439  -26.2925
            16  C8y C    22.4389  -24.2103
            17  C8y C    31.7152  -20.0051
            18  C8y C    30.5162  -17.9229
            19  C8y C    22.4389  -25.5966
            20  O2a O    23.6497  -27.6788
            21  O2a O    21.2342  -23.5144
            22  C8y C    31.7152  -18.6190
            23  O2a O    32.9142  -20.7012
            24  O2a O    21.1991  -26.3102
            25  C1a C    24.8429  -28.3630
            26  C1a C    20.0352  -24.2103
            27  O1a O    33.0955  -17.6773
            28  C1a C    34.1190  -20.0051
            29  C1y C    19.7896  -27.1523
            30  O2x O    18.5963  -26.4622
            31  C1y C    19.7896  -28.5443
            32  C1y C    17.3915  -27.1523
            33  C1y C    18.5963  -29.2345
            34  O1a O    21.0001  -29.2345
            35  C1y C    17.3915  -28.5443
            36  C1b C    16.1983  -26.4564
            37  O1a O    18.5963  -30.6148
            38  O1a O    16.1983  -29.2345
            39  O1a O    15.0110  -27.1523
            40  O2a O    30.5162  -16.5236
            41  C1a C    31.7279  -15.8239
BOND        45
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 1 #Down
            6     3   8 1
            7     4   9 1
            8     5  10 1 #Down
            9     7  11 2
            10    7  12 1
            11   10  13 1
            12   10  14 2
            13   11  15 1
            14   12  16 2
            15   13  17 2
            16   14  18 1
            17   15  19 2
            18   15  20 1
            19   16  21 1
            20   17  22 1
            21   17  23 1
            22   19  24 1
            23   20  25 1
            24   21  26 1
            25   22  27 1
            26   23  28 1
            27   29  24 1 #Up
            28   29  30 1
            29   29  31 1
            30   30  32 1
            31   31  33 1
            32   31  34 1 #Down
            33   32  35 1
            34   32  36 1 #Up
            35   33  37 1 #Up
            36   35  38 1 #Down
            37   36  39 1
            38    5   9 1
            39    6   8 1
            40   16  19 1
            41   18  22 2
            42   33  35 1
            43   18  40 1
            44    1   2 1
            45   40  41 1

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