KEGG   COMPOUND: C17639
Entry
C17639                      Compound                               

Name
Procyanidin B2;
Procyanidol B2
Formula
C30H26O12
Exact mass
578.1424
Mol weight
578.5202
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C17639  Procyanidin B2
Other DBs
CAS: 29106-49-8
PubChem: 96023983
ChEBI: 75632
ChEMBL: CHEMBL38714 CHEMBL81753
KNApSAcK: C00009077
NIKKAJI: J56.253J
KCF data

ATOM        42
            1   C1y C    30.2221  -28.1978
            2   C8y C    29.0361  -27.4304
            3   C1y C    31.4778  -27.5001
            4   C8y C    29.0361  -26.0351
            5   C8y C    27.8501  -28.1280
            6   C1y C    31.4778  -26.1048
            7   O1a O    32.6638  -28.1978
            8   O2x O    30.2918  -25.4072
            9   C8x C    27.8501  -25.3374
            10  C8x C    26.5944  -27.4304
            11  C8y C    26.5941  -26.0351
            12  O1a O    25.4084  -25.3374
            13  C8y C    32.6638  -25.4072
            14  C8x C    33.8499  -26.1048
            15  C8x C    32.6638  -24.0119
            16  C8y C    35.1057  -25.4072
            17  C8x C    33.9197  -23.3142
            18  C8y C    35.1057  -24.0119
            19  O1a O    36.2917  -26.1048
            20  O1a O    36.3614  -23.3142
            21  C8y C    30.2221  -30.0819
            22  C8y C    31.4778  -30.7098
            23  C8y C    29.0361  -30.7098
            24  C8y C    31.4778  -32.1748
            25  O2x O    32.6638  -30.0819
            26  C8x C    29.0361  -32.1748
            27  C1x C    32.6638  -32.8725
            28  C8y C    30.2221  -32.8725
            29  C1y C    33.8499  -30.7795
            30  C1y C    33.8499  -32.1748
            31  O1a O    30.2221  -34.2678
            32  O1a O    35.0359  -32.8725
            33  C8y C    35.1057  -30.0819
            34  C8x C    36.2917  -30.7795
            35  C8x C    35.1057  -28.6866
            36  C8y C    37.4777  -30.0819
            37  C8x C    36.2917  -27.9889
            38  C8y C    37.4777  -28.6866
            39  O1a O    38.7334  -30.7795
            40  O1a O    38.7334  -27.9889
            41  O1a O    27.8500  -30.0819
            42  O1a O    27.8513  -29.1748
BOND        47
            1    18  20 1
            2    17  18 1
            3     4   9 1
            4     1  21 1 #Up
            5     5  10 2
            6     9  11 2
            7    11  12 1
            8     6   8 1
            9    10  11 1
            10    6  13 1 #Down
            11    1   2 1
            12    1   3 1
            13    2   4 2
            14    2   5 1
            15   21  22 1
            16   21  23 2
            17   22  24 2
            18   22  25 1
            19   23  26 1
            20   24  27 1
            21   24  28 1
            22   25  29 1
            23   27  30 1
            24   28  31 1
            25   30  32 1 #Down
            26   26  28 2
            27   29  30 1
            28    3   6 1
            29   29  33 1 #Down
            30    3   7 1 #Down
            31    4   8 1
            32   13  14 2
            33   13  15 1
            34   14  16 1
            35   15  17 2
            36   16  18 2
            37   33  34 2
            38   33  35 1
            39   34  36 1
            40   35  37 2
            41   36  38 2
            42   36  39 1
            43   38  40 1
            44   37  38 1
            45   23  41 1
            46   16  19 1
            47    5  42 1

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