KEGG   COMPOUND: C10221
Entry
C10221                      Compound                               
Name
Epicatechin-(4beta->8)-ent-epicatechin
Formula
C30H26O12
Exact mass
578.1424
Mol weight
578.5202
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C10221  Epicatechin-(4beta->8)-ent-epicatechin
Phytochemical compounds [BR:br08003]
 Flavonoids
  Complex flavonoids
   Proanthocyanidins
    C10221  Epicatechin-(4beta->8)-ent-epicatechin
Other DBs
CAS: 82262-99-5
PubChem: 12407
ChEBI: 75633
LIPIDMAPS: LMPK12030001
KNApSAcK: C00002917
3DMET: B03648
NIKKAJI: J314.924B
LinkDB
KCF data

ATOM        42
            1   C1y C    27.0242  -16.5636
            2   C8y C    25.8241  -15.8527
            3   C1y C    28.3120  -15.8760
            4   C8y C    25.8357  -14.4544
            5   C8y C    24.6064  -16.5519
            6   C1y C    28.2536  -14.4777
            7   O1a O    29.4423  -16.5869
            8   O2x O    27.0535  -13.7726
            9   C8x C    24.6239  -13.7493
            10  C8x C    23.3946  -15.8411
            11  O1a O    23.3770  -17.2394
            12  C8y C    23.4062  -14.4368
            13  O1a O    22.2002  -13.7319
            14  C8y C    29.4663  -13.7904
            15  C8x C    30.6657  -14.5068
            16  C8x C    29.4713  -12.3976
            17  C8y C    31.8892  -13.8193
            18  C8x C    30.6950  -11.7043
            19  C8y C    31.9010  -12.4152
            20  O1a O    33.0953  -14.5243
            21  O1a O    33.1245  -11.7277
            22  C8y C    27.0302  -17.9676
            23  C8y C    28.2362  -18.6609
            24  C8y C    25.8065  -18.6609
            25  C8y C    28.2303  -20.0592
            26  O2x O    29.4480  -17.9676
            27  C8x C    25.8065  -20.0592
            28  O1a O    24.5947  -17.9560
            29  C1x C    29.4364  -20.7701
            30  C8y C    27.0242  -20.7643
            31  C1y C    30.6541  -18.6726
            32  C1y C    30.6483  -20.0709
            33  O1a O    27.0302  -22.1684
            34  O1a O    31.8601  -20.7817
            35  C8y C    31.8718  -17.9793
            36  C8x C    33.0838  -18.6842
            37  C8x C    31.8777  -16.5810
            38  C8y C    34.3013  -17.9910
            39  C8x C    33.0953  -15.8818
            40  C8y C    34.3072  -16.5926
            41  O1a O    35.5074  -18.6959
            42  O1a O    35.5190  -15.8934
BOND        47
            1    17  20 1
            2    19  21 1
            3    18  19 1
            4     4   9 1
            5     1  22 1 #Up
            6     5  10 2
            7     5  11 1
            8     9  12 2
            9    12  13 1
            10    6   8 1
            11   10  12 1
            12    6  14 1 #Down
            13    1   2 1
            14    1   3 1
            15    2   4 2
            16    2   5 1
            17   22  23 1
            18   22  24 2
            19   23  25 2
            20   23  26 1
            21   24  27 1
            22   24  28 1
            23   25  29 1
            24   25  30 1
            25   26  31 1
            26   29  32 1
            27   30  33 1
            28   32  34 1 #Up
            29   27  30 2
            30   31  32 1
            31    3   6 1
            32   31  35 1 #Up
            33    3   7 1 #Down
            34    4   8 1
            35   14  15 2
            36   14  16 1
            37   15  17 1
            38   16  18 2
            39   17  19 2
            40   35  36 2
            41   35  37 1
            42   36  38 1
            43   37  39 2
            44   38  40 2
            45   38  41 1
            46   40  42 1
            47   39  40 1

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