KEGG   COMPOUND: C12408Help
Entry
C12408                      Compound                               

Name
100-2
Formula
C31H36O12
Exact mass
600.2207
Mol weight
600.6103
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01057  Biosynthesis of type II polyketide products
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 582798
ChEBI: 31049
3DMET: B04491
NIKKAJI: J533.513B
LinkDB All DBs
KCF data Show

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

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