KEGG   COMPOUND: C04900Help
Entry
C04900                      Compound                               

Name
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
Formula
C33H34O24
Exact mass
814.144
Mol weight
814.6087
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavone and flavonol biosynthesis
Enzyme
2.4.1.191       3.2.1.31
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C04900  Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C04900  Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        57
            1   C8y C    25.9749  -27.5411
            2   C8y C    25.9692  -28.9262
            3   O2x O    27.1788  -26.8575
            4   C8x C    24.7946  -26.8516
            5   C8y C    27.1671  -29.6157
            6   C8y C    24.7946  -29.6098
            7   C8y C    28.3651  -27.5471
            8   C8y C    23.5907  -27.5411
            9   C8x C    28.3592  -28.9319
            10  O5x O    27.1612  -30.9889
            11  C8x C    23.5907  -28.9262
            12  O1a O    24.7946  -30.9832
            13  O2a O    22.3987  -26.8458
            14  C1y C    20.9553  -27.5704
            15  C1y C    20.9553  -28.9436
            16  O2x O    19.7691  -26.8809
            17  O2a O    22.1240  -29.9137
            18  C1y C    19.7691  -29.6391
            19  C1y C    18.5711  -27.5704
            20  C1y C    22.1240  -31.9823
            21  C1y C    18.5711  -28.9436
            22  O1a O    19.7748  -31.0123
            23  C6a C    17.3848  -26.8809
            24  C1y C    23.3162  -32.6661
            25  O2x O    20.9320  -32.6661
            26  O1a O    17.3848  -29.6391
            27  O6a O    16.1869  -27.5645
            28  C1y C    23.3162  -34.0510
            29  O1a O    24.5082  -31.9823
            30  C1y C    20.9320  -34.0510
            31  C1y C    22.1240  -34.7348
            32  O1a O    24.5082  -34.7348
            33  C6a C    19.7398  -34.7348
            34  O1a O    22.1240  -36.1139
            35  C8y C    29.5631  -26.8692
            36  C8x C    30.7434  -27.5645
            37  C8x C    29.5631  -25.4960
            38  C8y C    31.9414  -26.8809
            39  C8x C    30.7610  -24.8122
            40  C8y C    31.9473  -25.5075
            41  O2a O    33.1453  -24.8181
            42  O6a O    18.5309  -34.0324
            43  O6a O    19.7359  -36.1329
            44  O6a O    17.3904  -25.4828
            45  O1a O    33.1490  -27.5857
            46  C1y C    34.3510  -24.1108
            47  O2x O    35.5664  -24.8014
            48  C1y C    36.7722  -24.0942
            49  C1y C    36.7625  -22.6962
            50  C1y C    35.5471  -22.0057
            51  C1y C    34.3414  -22.7130
            52  C6a C    37.9878  -24.7847
            53  O6a O    37.9974  -26.1828
            54  O6a O    39.1937  -24.0774
            55  O1a O    37.9685  -21.9889
            56  O1a O    35.5375  -20.6076
            57  O1a O    33.1258  -22.0223
BOND        62
            1    18  22 1 #Up
            2    19  23 1 #Up
            3    20  24 1
            4    20  25 1
            5    21  26 1 #Down
            6    23  27 2
            7    24  28 1
            8    24  29 1 #Down
            9    25  30 1
            10   28  31 1
            11   28  32 1 #Up
            12   30  33 1 #Up
            13   31  34 1 #Down
            14    7   9 2
            15    8  11 1
            16   19  21 1
            17   30  31 1
            18    7  35 1
            19    1   2 2
            20    1   3 1
            21    1   4 1
            22    2   5 1
            23    2   6 1
            24    3   7 1
            25   35  36 2
            26   35  37 1
            27   36  38 1
            28   37  39 2
            29   38  40 2
            30   40  41 1
            31   39  40 1
            32   33  42 1
            33    4   8 2
            34   33  43 2
            35    5   9 1
            36   23  44 1
            37    5  10 2
            38   38  45 1
            39   46  41 1 #Up
            40    6  11 2
            41    6  12 1
            42    8  13 1
            43   14  13 1 #Up
            44   14  15 1
            45   46  47 1
            46   47  48 1
            47   48  49 1
            48   49  50 1
            49   50  51 1
            50   51  46 1
            51   14  16 1
            52   48  52 1 #Up
            53   15  17 1 #Down
            54   52  53 1
            55   15  18 1
            56   52  54 2
            57   16  19 1
            58   49  55 1 #Down
            59   20  17 1 #Up
            60   50  56 1 #Up
            61   18  21 1
            62   51  57 1 #Down

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