KEGG   COMPOUND: C17640Help
Entry
C17640                      Compound                               

Name
Procyanidin B5;
Procyanidol B5
Formula
C30H26O12
Exact mass
578.1424
Mol weight
578.5202
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C17640  Procyanidin B5
BRITE hierarchy
Other DBs
CAS: 12798-57-1
PubChem: 96023984
ChEBI: 75621
ChEMBL: CHEMBL506487
KNApSAcK: C00009076
NIKKAJI: J257.846H
LinkDB All DBs
KCF data Show

ATOM        42
            1   C8x C    25.7516  -21.3151
            2   C8y C    27.0165  -21.9475
            3   C8y C    24.5569  -21.9475
            4   C8y C    27.0165  -23.4233
            5   O2x O    28.2111  -21.3151
            6   C8y C    24.5569  -23.4233
            7   C1x C    28.2111  -24.1260
            8   C8y C    25.7516  -24.1260
            9   C1y C    29.4057  -22.0178
            10  C1y C    29.4057  -23.4233
            11  O1a O    25.7516  -25.2515
            12  O1a O    30.5301  -24.1260
            13  C8y C    30.6004  -21.3151
            14  C8x C    31.7950  -22.0178
            15  C8x C    30.6004  -19.9096
            16  C8y C    32.9897  -21.3151
            17  C8x C    31.7950  -19.2069
            18  C8y C    32.9897  -19.9096
            19  O1a O    34.2546  -22.0178
            20  O1a O    34.2546  -19.2069
            21  O1a O    23.4325  -21.3151
            22  C1y C    22.9169  -24.5411
            23  C1y C    21.7238  -23.8456
            24  C1y C    20.5037  -24.5432
            25  O2x O    20.4979  -25.9486
            26  C8y C    21.6910  -26.6441
            27  C8y C    22.9111  -25.9465
            28  C8x C    21.6851  -28.0496
            29  C8y C    22.8993  -28.7574
            30  C8x C    24.1194  -28.0597
            31  C8y C    24.1253  -26.6543
            32  O1a O    21.7297  -22.4379
            33  C8y C    19.2751  -23.8269
            34  C8x C    19.2813  -22.4378
            35  C8y C    18.0671  -21.7298
            36  C8y C    16.8470  -22.4272
            37  C8x C    16.8409  -23.8162
            38  C8x C    18.0549  -24.5243
            39  O1a O    18.0735  -20.3297
            40  O1a O    15.6239  -21.7137
            41  O1a O    22.8936  -30.1676
            42  O1a O    25.2122  -26.0925
BOND        47
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    8  11 1
            11   10  12 1 #Down
            12    6   8 2
            13    9  10 1
            14    9  13 1 #Down
            15   13  14 2
            16   13  15 1
            17   14  16 1
            18   15  17 2
            19   16  18 2
            20   16  19 1
            21   18  20 1
            22   17  18 1
            23    3  21 1
            24   22   6 1 #Up
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   26  28 2
            32   28  29 1
            33   29  30 2
            34   30  31 1
            35   27  31 2
            36   23  32 1 #Down
            37   24  33 1 #Down
            38   33  34 2
            39   34  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   33  38 1
            44   35  39 1
            45   36  40 1
            46   29  41 1
            47   31  42 1

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