KEGG   COMPOUND: C12632Help
Entry
C12632                      Compound                               

Name
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide];
Luteolin 7-O-beta-D-diglucuronide
Formula
C27H26O18
Exact mass
638.1119
Mol weight
638.4845
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Flavone and flavonol biosynthesis
Enzyme
2.4.1.190       2.4.1.191       3.2.1.31
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C12632  Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
Phytochemical compounds [BR:br08003]
 Flavonoids
  Flavonoids
   Flavones
    C12632  Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        45
            1   C8y C    30.1808  -14.0235
            2   C8y C    30.1750  -15.4080
            3   O2x O    31.3842  -13.3401
            4   C8x C    29.0009  -13.3342
            5   C8y C    31.3725  -16.0973
            6   C8y C    29.0009  -16.0914
            7   C8y C    32.5700  -14.0294
            8   C8y C    27.7974  -14.0235
            9   C8x C    32.5641  -15.4138
            10  O5x O    31.3666  -17.4700
            11  C8x C    27.7974  -15.4080
            12  O1a O    29.0009  -17.4642
            13  O2a O    26.6059  -13.3284
            14  C1y C    25.1631  -14.0528
            15  C1y C    25.1631  -15.4255
            16  O2x O    23.9772  -13.3635
            17  O2a O    26.3313  -16.3951
            18  C1y C    23.9772  -16.1207
            19  C1y C    22.7797  -14.0528
            20  C1y C    26.3313  -18.4630
            21  C1y C    22.7797  -15.4255
            22  O1a O    23.9830  -17.4933
            23  C6a C    21.5939  -13.3635
            24  C1y C    27.5230  -19.1465
            25  O2x O    25.1397  -19.1465
            26  O1a O    21.5939  -16.1207
            27  O6a O    20.3964  -14.0469
            28  C1y C    27.5230  -20.5309
            29  O1a O    28.7146  -18.4630
            30  C1y C    25.1397  -20.5309
            31  C1y C    26.3313  -21.2144
            32  O1a O    28.7146  -21.2144
            33  C6a C    23.9479  -21.2144
            34  O1a O    26.3313  -22.5930
            35  C8y C    33.7675  -13.3518
            36  C8x C    34.9474  -14.0469
            37  C8x C    33.7675  -11.9791
            38  C8y C    36.1449  -13.3635
            39  C8x C    34.9650  -11.2956
            40  C8y C    36.1508  -11.9907
            41  O1a O    37.3483  -11.3015
            42  O6a O    22.7396  -20.5123
            43  O6a O    23.9440  -22.6120
            44  O6a O    21.5995  -11.9659
            45  O1a O    37.3521  -14.0680
BOND        49
            1     6  11 2
            2     6  12 1
            3     8  13 1
            4    14  13 1 #Up
            5    14  15 1
            6    14  16 1
            7    15  17 1 #Down
            8    15  18 1
            9    16  19 1
            10   20  17 1 #Up
            11   18  21 1
            12   18  22 1 #Up
            13   19  23 1 #Up
            14   20  24 1
            15   20  25 1
            16   21  26 1 #Down
            17   23  27 2
            18   24  28 1
            19   24  29 1 #Down
            20   25  30 1
            21   28  31 1
            22   28  32 1 #Up
            23   30  33 1 #Up
            24   31  34 1 #Down
            25    7   9 2
            26    8  11 1
            27   19  21 1
            28   30  31 1
            29    7  35 1
            30    1   2 2
            31    1   3 1
            32    1   4 1
            33    2   5 1
            34    2   6 1
            35    3   7 1
            36   35  36 2
            37   35  37 1
            38   36  38 1
            39   37  39 2
            40   38  40 2
            41   40  41 1
            42   39  40 1
            43   33  42 1
            44    4   8 2
            45   33  43 2
            46    5   9 1
            47   23  44 1
            48    5  10 2
            49   38  45 1

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