KEGG   COMPOUND: C09114
Entry
C09114                      Compound                               
Name
Inumakilactone A glycoside
Formula
C24H30O13
Exact mass
526.1686
Mol weight
526.4872
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Others
    C09114  Inumakilactone A glycoside
Other DBs
CAS: 37850-48-9
PubChem: 11306
ChEBI: 5944
KNApSAcK: C00003441
3DMET: B02691
NIKKAJI: J39.992B
LinkDB
KCF data

ATOM        37
            1   C1z C    24.2125  -15.4377
            2   C1y C    24.2184  -16.8266
            3   C2y C    23.0162  -14.7317
            4   O2x O    25.4147  -16.1206
            5   C1y C    25.4263  -14.7551
            6   C1y C    22.9988  -17.5268
            7   C1z C    21.8025  -15.4261
            8   C2x C    23.0221  -13.3429
            9   C1c C    26.6284  -15.4494
            10  O7x O    25.4379  -13.3603
            11  C1y C    21.7966  -16.8208
            12  O7x O    22.6253  -18.8690
            13  C1y C    20.5887  -14.7317
            14  C1a C    21.7908  -14.0315
            15  C7x C    24.2358  -12.6543
            16  O2a O    27.8304  -14.7492
            17  C1a C    26.6167  -16.8442
            18  C1z C    20.5946  -17.5211
            19  C7x C    20.9505  -18.8690
            20  C1y C    19.3866  -15.4261
            21  O2x O    19.3807  -14.0372
            22  O6a O    24.2475  -11.2597
            23  C1y C    29.0383  -15.4494
            24  C1y C    19.3866  -16.8208
            25  C1a C    19.8826  -18.7290
            26  O6a O    20.0986  -19.9718
            27  O2x O    29.0326  -16.8442
            28  C1y C    30.2522  -14.7551
            29  O1a O    18.1787  -17.5211
            30  C1y C    30.2346  -17.5502
            31  C1y C    31.4542  -15.4611
            32  O1a O    30.2579  -13.3603
            33  C1y C    31.4485  -16.8559
            34  C1b C    30.2288  -18.9448
            35  O1a O    32.6681  -14.7668
            36  O1a O    32.6564  -17.5619
            37  O1a O    31.4251  -19.6334
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    7  14 1 #Up
            14    8  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   11  18 1
            18   12  19 1
            19   13  20 1
            20   13  21 1
            21   15  22 2
            22   23  16 1 #Up
            23   18  24 1
            24   18  25 1 #Down
            25   19  26 2
            26   23  27 1
            27   23  28 1
            28   24  29 1 #Up
            29   27  30 1
            30   28  31 1
            31   28  32 1 #Down
            32   30  33 1
            33   30  34 1 #Up
            34   31  35 1 #Up
            35   33  36 1 #Down
            36   34  37 1
            37    2   4 1 #Down
            38    7  11 1
            39   10  15 1
            40   18  19 1
            41   20  21 1
            42   20  24 1
            43   31  33 1

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