KEGG   COMPOUND: C09731Help
Entry
C09731                      Compound                               

Name
Epigallocatechin 3-gallate
Formula
C22H18O11
Exact mass
458.0849
Mol weight
458.3717
Structure
Mol fileKCF fileDB searchJmolKegDraw
Pathway
AMPK signaling pathway
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1203 Proanthocyanidins
    C09731  Epigallocatechin 3-gallate
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavan 3-ols
    C09731  Epigallocatechin 3-gallate
BRITE hierarchy
Other DBs
CAS: 
989-51-5
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        33
            1   C1y C    28.8597  -15.1862
            2   C1y C    28.8539  -16.5841
            3   O2x O    27.6481  -14.4756
            4   C1x C    27.6365  -17.2773
            5   O7a O    29.9954  -17.2831
            6   C8y C    26.4307  -15.1746
            7   C8y C    26.4950  -16.5724
            8   C7a C    30.0597  -18.6870
            9   C8x C    25.2192  -14.4697
            10  C8y C    25.2192  -17.2714
            11  C8y C    31.2655  -19.3976
            12  O6a O    28.8423  -19.3860
            13  C8y C    24.0134  -15.1746
            14  C8x C    24.0134  -16.5724
            15  O1a O    25.2249  -18.6694
            16  C8x C    31.2595  -20.7897
            17  C8x C    32.4829  -18.6870
            18  O1a O    22.7960  -14.4697
            19  C8y C    32.4712  -21.4887
            20  C8y C    33.6886  -19.3976
            21  C8y C    33.6827  -20.8014
            22  O1a O    32.4653  -22.8925
            23  O1a O    34.9061  -18.6986
            24  O1a O    34.8944  -21.5004
            25  C8y C    30.0771  -14.4872
            26  C8x C    31.2829  -15.1979
            27  C8x C    30.0771  -13.0892
            28  C8y C    32.5003  -14.4989
            29  C8y C    31.2945  -12.3960
            30  C8y C    32.5062  -13.0950
            31  O1a O    33.7003  -15.2095
            32  O1a O    31.3004  -10.9922
            33  O1a O    33.7120  -12.4076
BOND        36
            1     7  10 1
            2     8  11 1
            3     8  12 2
            4     9  13 2
            5    10  14 2
            6    10  15 1
            7    11  16 2
            8    11  17 1
            9    13  18 1
            10   16  19 1
            11   17  20 2
            12   19  21 2
            13   19  22 1
            14   20  23 1
            15   21  24 1
            16    6   7 2
            17   13  14 1
            18   20  21 1
            19    1  25 1 #Down
            20    1   2 1
            21    1   3 1
            22    2   4 1
            23    2   5 1 #Down
            24    3   6 1
            25    4   7 1
            26    5   8 1
            27    6   9 1
            28   25  26 2
            29   25  27 1
            30   26  28 1
            31   27  29 2
            32   28  30 2
            33   28  31 1
            34   29  32 1
            35   30  33 1
            36   29  30 1

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