KEGG   COMPOUND: C10237
Entry
C10237                      Compound                               
Name
Proanthocyanidin A2;
Epicatechin-(2beta->7,4beta->8)-epicatechin
Formula
C30H24O12
Exact mass
576.1268
Mol weight
576.5044
Structure
Brite
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Proanthocyanidins
    C10237  Proanthocyanidin A2
Other DBs
CAS: 41743-41-3
PubChem: 12423
ChEBI: 28472
KNApSAcK: C00002934
3DMET: B03663
NIKKAJI: J575.384H
KCF data

ATOM        42
            1   C1z C    29.5043  -13.8268
            2   C1y C    29.4986  -15.2261
            3   C8y C    30.7229  -13.1271
            4   O2x O    30.7112  -14.5205
            5   O2x O    28.3034  -13.1155
            6   C1y C    28.2917  -15.9198
            7   O1a O    28.4201  -14.5205
            8   C8x C    31.9298  -13.8385
            9   C8x C    30.7286  -11.7279
            10  C8y C    30.7055  -15.9198
            11  C8y C    27.0848  -13.8151
            12  C8y C    29.4869  -16.6194
            13  C8y C    27.0789  -15.2144
            14  C8y C    33.1483  -13.1388
            15  C8x C    31.9414  -11.0341
            16  C8x C    31.9181  -16.6311
            17  C8x C    25.8721  -13.1097
            18  C8y C    29.4869  -18.0187
            19  C8y C    25.8721  -15.9141
            20  C8y C    33.1541  -11.7395
            21  O1a O    34.3609  -13.8501
            22  C8y C    31.9064  -18.0361
            23  C8y C    24.6535  -13.8151
            24  C8y C    30.6879  -18.7241
            25  O2x O    28.2801  -18.7010
            26  C8x C    24.6535  -15.2144
            27  O1a O    25.8780  -17.3133
            28  O1a O    34.3726  -11.0458
            29  O1a O    33.1191  -18.7358
            30  O1a O    23.4409  -13.1097
            31  C1x C    30.6762  -20.1177
            32  C1y C    28.2625  -20.0943
            33  C1y C    29.4577  -20.8056
            34  O1a O    29.4460  -22.2107
            35  C8y C    27.0439  -20.7881
            36  C8x C    25.8371  -20.0710
            37  C8x C    27.0323  -22.1873
            38  C8y C    24.6185  -20.7590
            39  C8x C    25.8080  -22.8696
            40  C8y C    24.6711  -22.1640
            41  O1a O    23.4118  -20.0419
            42  O1a O    23.3768  -22.8462
BOND        48
            1     3   9 1
            2     4  10 1
            3     5  11 1
            4     6  12 1 #Up
            5     6  13 1
            6     8  14 1
            7     9  15 2
            8    10  16 1
            9    11  17 1
            10   12  18 1
            11   13  19 1
            12   14  20 2
            13   14  21 1
            14   16  22 2
            15   17  23 2
            16   18  24 2
            17   18  25 1
            18   19  26 2
            19   19  27 1
            20   20  28 1
            21   22  29 1
            22   23  30 1
            23   24  31 1
            24   25  32 1
            25   31  33 1
            26   33  34 1 #Up
            27   10  12 2
            28   11  13 2
            29   15  20 1
            30   22  24 1
            31   23  26 1
            32   32  33 1
            33   32  35 1 #Up
            34    1   2 1
            35    1   3 1
            36    1   4 1 #Up
            37    1   5 1
            38    2   6 1
            39    2   7 1 #Down
            40    3   8 2
            41   35  36 1
            42   35  37 2
            43   36  38 2
            44   37  39 1
            45   38  40 1
            46   38  41 1
            47   40  42 1
            48   39  40 2

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