COMPOUND: C12408


Entry
C12408                      Compound                               
Name
100-2
Formula
C31H36O12
Exact mass
600.2207
Mol weight
600.6103
Structure
Reaction
R06666 R06667
Pathway
map01057  Biosynthesis of type II polyketide products
map01110  Biosynthesis of secondary metabolites
Brite
Glycosides [BR:br08021]
 O-glycosides
  Anthraquinone glycosides
   C12408  100-2
Other DBs
PubChem: 582798
ChEBI: 31049
3DMET: B04491
NIKKAJI: J533.513B
KCF data

ATOM        43
            1   O1a O    32.1647  -18.8504
            2   C1z C    30.7593  -18.8502
            3   C1a C    31.4574  -20.0654
            4   C1y C    20.5002  -12.6856
            5   C1y C    19.4231  -13.3644
            6   C1y C    19.3661  -14.7041
            7   C1x C    20.5296  -15.3526
            8   C1y C    21.6767  -14.6738
            9   O2x O    21.7304  -13.3465
            10  C8y C    22.8371  -15.3174
            11  O1a O    18.2201  -15.3848
            12  O1a O    18.1918  -12.7097
            13  C1a C    20.4893  -11.3528
            14  C1z C    29.5332  -16.7228
            15  C1z C    28.3090  -17.4301
            16  C5x C    28.3101  -18.8521
            17  C1x C    29.5351  -19.5485
            18  C1x C    30.7584  -17.4284
            19  C2y C    27.0848  -15.2991
            20  C2y C    27.0848  -16.7228
            21  C2x C    29.5373  -15.2991
            22  C2x C    28.3110  -14.5918
            23  C8x C    22.8319  -16.7320
            24  C8x C    23.9020  -17.3304
            25  C8y C    24.9629  -16.7320
            26  C5x C    26.0239  -17.3304
            27  C8y C    23.8928  -14.7006
            28  C8y C    24.9629  -15.3082
            29  C5x C    26.0147  -14.6917
            30  O1a O    23.8839  -13.3676
            31  O5x O    26.0058  -13.3587
            32  O5x O    26.0300  -18.5323
            33  O5x O    27.2884  -19.4976
            34  O1a O    30.6849  -16.0519
            35  O2a O    25.3710  -20.4134
            36  C1y C    21.9070  -21.0846
            37  C1y C    21.9070  -22.4175
            38  C1x C    23.0667  -23.0885
            39  C1x C    24.2173  -22.4175
            40  C1y C    24.2173  -21.0846
            41  O2x O    23.0667  -20.4225
            42  O1a O    20.7522  -23.0835
            43  C1a C    20.7542  -20.4151
BOND        48
            1     2   1 1 #Up
            2     2   3 1 #Down
            3     7   8 1
            4    23  24 1
            5     8   9 1
            6    24  25 2
            7     9   4 1
            8    25  26 1
            9    26  20 1
            10   23  10 2
            11   10  27 1
            12    8  10 1 #Up
            13   27  28 2
            14    4   5 1
            15   28  29 1
            16   29  19 1
            17   14  15 1
            18   27  30 1
            19   15  16 1
            20   29  31 2
            21   25  28 1
            22   16  17 1
            23   26  32 2
            24   17   2 1
            25   16  33 2
            26    2  18 1
            27   18  14 1
            28    6  11 1 #Up
            29   14  34 1 #Up
            30    5   6 1
            31   15  35 1 #Up
            32    5  12 1 #Down
            33    6   7 1
            34   19  20 2
            35   20  15 1
            36   14  21 1
            37   21  22 2
            38   36  37 1
            39   37  38 1
            40   38  39 1
            41   39  40 1
            42   40  41 1
            43   41  36 1
            44   40  35 1 #Up
            45   22  19 1
            46   37  42 1 #Down
            47    4  13 1 #Up
            48   36  43 1 #Down

» Japanese version

  All links  
Pathway (2)   
   KEGG PATHWAY (2)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   NIKKAJI (1)   
Chemical reaction (2)   
   KEGG REACTION (2)   
Gene (2)   
   KEGG GENES (2)   
All databases (10)   

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