KEGG   COMPOUND: C16723
Entry
C16723                      Compound                               
Name
Pumiloside
Formula
C26H28N2O9
Exact mass
512.1795
Mol weight
512.5085
Structure
Reaction
Pathway
map00996  Biosynthesis of various alkaloids
map01063  Biosynthesis of alkaloids derived from shikimate pathway
Other DBs
PubChem: 96023247
ChEBI: 80683
KNApSAcK: C00031110
NIKKAJI: J705.746F
LinkDB
KCF data

ATOM        37
            1   C1y C    24.9764  -19.7620
            2   N1y N    25.7759  -18.6114
            3   C1x C    25.5730  -21.0297
            4   C1y C    26.9692  -21.1469
            5   C2y C    27.7687  -19.9962
            6   C5x C    27.1721  -18.7286
            7   C1y C    27.5658  -22.4146
            8   C1y C    28.9620  -22.5318
            9   O2x O    29.7616  -21.3813
            10  C2x C    29.1649  -20.1135
            11  O2a O    29.9133  -24.0197
            12  C2b C    26.7776  -23.5491
            13  C2a C    27.2385  -24.8722
            14  O5x O    27.9495  -17.6095
            15  C1x C    24.9886  -17.4532
            16  C8y C    23.6437  -17.8439
            17  C8y C    23.5997  -19.2438
            18  C8y C    22.3827  -17.2345
            19  C8y C    21.2245  -18.0218
            20  C8y C    21.3270  -19.4185
            21  N4x N    22.5880  -20.0280
            22  C8x C    19.9635  -17.4124
            23  C8x C    18.8052  -18.1996
            24  C8x C    18.9078  -19.5963
            25  C8x C    20.1688  -20.2058
            26  O5x O    22.2776  -15.8012
            27  C1y C    31.5233  -24.2297
            28  O2x O    32.2130  -25.4248
            29  C1y C    33.6130  -25.4250
            30  C1y C    34.3132  -24.2127
            31  C1y C    33.6235  -23.0175
            32  C1y C    32.2235  -23.0173
            33  C1b C    34.3130  -26.6375
            34  O1a O    34.3235  -21.8051
            35  O1a O    35.7132  -24.2127
            36  O1a O    31.5235  -21.8049
            37  O1a O    35.7130  -26.6375
BOND        42
            1     1   2 1
            2     1   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 2
            12    8  11 1 #Up
            13    7  12 1
            14   12  13 2
            15    6  14 2
            16    2  15 1
            17   15  16 1
            18   16  17 2
            19   17   1 1
            20   16  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   21  17 1
            25   19  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   25  20 1
            30   18  26 2
            31   27  11 1 #Up
            32   27  28 1
            33   28  29 1
            34   29  30 1
            35   30  31 1
            36   31  32 1
            37   27  32 1
            38   29  33 1 #Up
            39   31  34 1 #Up
            40   30  35 1 #Down
            41   32  36 1 #Down
            42   33  37 1

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