KEGG   COMPOUND: C09799
Entry
C09799                      Compound                               
Name
Specionin
Formula
C20H26O8
Exact mass
394.1628
Mol weight
394.4156
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Iridoids
    C09799  Specionin
Other DBs
CAS: 96944-53-5
PubChem: 11987
ChEBI: 9214
KNApSAcK: C00003099
3DMET: B03296
NIKKAJI: J230.932G
LinkDB
KCF data

ATOM        28
            1   C1z C    29.9295  -28.0417
            2   C1y C    31.2726  -27.6162
            3   C1y C    29.1763  -26.8396
            4   O2x O    28.5107  -28.1014
            5   C1b C    29.2462  -29.2917
            6   C1y C    31.2784  -26.2031
            7   C1y C    32.4935  -28.3288
            8   C1y C    29.9295  -25.7531
            9   O1a O    27.8332  -29.3324
            10  C1x C    32.5168  -25.5024
            11  O2x O    33.7259  -27.6338
            12  O2a O    32.4819  -29.7417
            13  C1y C    33.7376  -26.2207
            14  C1b C    33.7083  -30.4659
            15  O2a O    34.9640  -25.5198
            16  C1a C    34.9349  -29.7593
            17  C1b C    36.1778  -26.2440
            18  C1a C    37.4159  -25.5374
            19  O7a O    29.4897  -24.4151
            20  C7a C    28.0810  -24.4281
            21  C8y C    27.3652  -23.2197
            22  O6a O    27.3879  -25.6564
            23  C8x C    28.0622  -21.9997
            24  C8x C    27.3466  -20.7844
            25  C8y C    25.9379  -20.7974
            26  C8x C    25.2448  -22.0257
            27  C8x C    25.9604  -23.2410
            28  O1a O    25.2222  -19.5821
BOND        31
            1     7  11 1
            2     7  12 1 #Down
            3    10  13 1
            4    12  14 1
            5    13  15 1 #Up
            6    14  16 1
            7    15  17 1
            8    17  18 1
            9     3   4 1
            10    6   8 1
            11   11  13 1
            12    8  19 1 #Up
            13    1   2 1
            14   19  20 1
            15    1   3 1
            16   20  21 1
            17    1   4 1
            18   20  22 2
            19    1   5 1 #Down
            20    2   6 1
            21    2   7 1
            22    3   8 1
            23    5   9 1
            24   21  23 2
            25   23  24 1
            26   24  25 2
            27   25  26 1
            28   26  27 2
            29   27  21 1
            30    6  10 1
            31   25  28 1

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