KEGG   COMPOUND: C10560
Entry
C10560                      Compound                               
Name
Eucommin A;
Medioresinol 4'-O-beta-D-glucopyranoside
Formula
C27H34O12
Exact mass
550.205
Mol weight
550.5517
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignan glycosides
    C10560  Eucommin A
Dietary phytochemicals [br08012.html]
 Other phytochemicals
  C10560
Other DBs
CAS: 99633-12-2
PubChem: 12743
ChEBI: 4914
KNApSAcK: C00002601
3DMET: B03958
NIKKAJI: J988.046A
LinkDB
KCF data

ATOM        39
            1   C1y C    26.4218  -21.2258
            2   C1y C    27.8195  -21.2432
            3   C1y C    26.0417  -22.5535
            4   C1x C    25.9421  -19.9099
            5   C1y C    28.2056  -19.8397
            6   C1x C    28.2817  -22.4775
            7   C8y C    24.8310  -23.2553
            8   O2x O    27.1938  -23.3313
            9   O2x O    27.0476  -19.0559
            10  C8y C    29.3169  -19.0442
            11  C8x C    24.8368  -24.6356
            12  C8x C    23.6437  -22.5535
            13  C8x C    30.5158  -19.7403
            14  C8x C    29.3169  -17.6582
            15  C8y C    23.6437  -25.3315
            16  C8y C    22.4388  -23.2494
            17  C8y C    31.7148  -19.0442
            18  C8x C    30.5158  -16.9621
            19  C8y C    22.4388  -24.6356
            20  O2a O    23.6495  -26.7178
            21  O2a O    21.2340  -22.5535
            22  C8y C    31.7148  -17.6582
            23  O2a O    32.9138  -19.7403
            24  O2a O    21.1989  -25.3492
            25  C1a C    24.8427  -27.4020
            26  C1a C    20.0351  -23.2494
            27  O1a O    33.0951  -16.7165
            28  C1a C    34.1185  -19.0442
            29  C1y C    19.7895  -26.1913
            30  O2x O    18.5963  -25.5011
            31  C1y C    19.7895  -27.5833
            32  C1y C    17.3915  -26.1913
            33  C1y C    18.5963  -28.2734
            34  O1a O    21.0000  -28.2734
            35  C1y C    17.3915  -27.5833
            36  C1b C    16.1983  -25.4954
            37  O1a O    18.5963  -29.6537
            38  O1a O    16.1983  -28.2734
            39  O1a O    15.0110  -26.1913
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1 #Down
            7     3   8 1
            8     4   9 1
            9     5  10 1 #Down
            10    7  11 2
            11    7  12 1
            12   10  13 1
            13   10  14 2
            14   11  15 1
            15   12  16 2
            16   13  17 2
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   16  21 1
            21   17  22 1
            22   17  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   22  27 1
            27   23  28 1
            28   29  24 1 #Up
            29   29  30 1
            30   29  31 1
            31   30  32 1
            32   31  33 1
            33   31  34 1 #Down
            34   32  35 1
            35   32  36 1 #Up
            36   33  37 1 #Up
            37   35  38 1 #Down
            38   36  39 1
            39    5   9 1
            40    6   8 1
            41   16  19 1
            42   18  22 2
            43   33  35 1

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