KEGG   COMPOUND: C10238Help
Entry
C10238                      Compound                               

Name
Procyanidin B4;
Catechin-(4alpha->8)-epicatechin
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
    C10238  Procyanidin B4
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Proanthocyanidins
    C10238  Procyanidin B4
BRITE hierarchy
Other DBs
CAS: 29106-51-2
PubChem: 12424
ChEBI: 27589
ChEMBL: CHEMBL447373
LIPIDMAPS: LMPK12030004
KNApSAcK: C00002935
3DMET: B03664
NIKKAJI: J56.255F
LinkDB All DBs
KCF data Show

ATOM        42
            1   C1y C    27.0451  -16.5566
            2   C8y C    25.8446  -15.8456
            3   C1y C    28.2632  -15.8689
            4   C8y C    25.8561  -14.4527
            5   C8y C    24.6265  -16.5450
            6   C1y C    28.2749  -14.4761
            7   O1a O    29.4637  -16.5859
            8   O2x O    27.0742  -13.7709
            9   C8x C    24.6498  -13.7417
            10  C8x C    23.4841  -15.8339
            11  C8y C    23.4258  -14.4294
            12  O1a O    22.2193  -13.7243
            13  C8y C    29.4879  -13.7885
            14  C8x C    30.6877  -14.4994
            15  C8x C    29.4930  -12.3895
            16  C8y C    31.9116  -13.8116
            17  C8x C    30.7168  -11.6961
            18  C8y C    31.9232  -12.4129
            19  O1a O    33.1180  -14.5227
            20  O1a O    33.1471  -11.7194
            21  C8y C    27.0508  -17.9671
            22  C8y C    28.2573  -18.6548
            23  C8y C    25.8270  -18.6548
            24  C8y C    28.2515  -20.0593
            25  O2x O    29.4696  -17.9671
            26  C8x C    25.8270  -20.0593
            27  C1x C    29.4580  -20.7647
            28  C8y C    27.0451  -20.7647
            29  C1y C    30.6818  -18.6665
            30  C1y C    30.6761  -20.0710
            31  O1a O    27.0508  -22.1634
            32  O1a O    31.8825  -20.7763
            33  C8y C    31.8942  -17.9788
            34  C8x C    33.1064  -18.6781
            35  C8x C    31.8999  -16.5742
            36  C8y C    34.3245  -17.9904
            37  C8x C    33.1180  -15.8806
            38  C8y C    34.3302  -16.5859
            39  O1a O    35.5367  -18.6898
            40  O1a O    35.5483  -15.8865
            41  O1a O    24.6234  -17.9505
            42  O1a O    23.4112  -17.2298
BOND        47
            1    18  20 1
            2    17  18 1
            3     4   9 1
            4     1  21 1 #Down
            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 #Up
            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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