KEGG   COMPOUND: C17834
Entry
C17834                      Compound                               
Name
Spinosin
Formula
C28H32O15
Exact mass
608.1741
Mol weight
608.5447
Structure
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK12 Flavonoids
   PK1211 Flavones and Flavonols
    C17834  Spinosin
Glycosides [BR:br08021]
 C-glycosides
  C17834  Spinosin
Other DBs
CAS: 72063-39-9
PubChem: 96024126
ChEBI: 81360
LIPIDMAPS: LMPK12110988
KNApSAcK: C00006268
NIKKAJI: J444.982G
LinkDB
KCF data

ATOM        43
            1   C8y C    14.2100  -19.3200
            2   C8y C    14.2100  -20.7200
            3   C8y C    15.4224  -21.4200
            4   C8y C    16.6349  -20.7200
            5   C8y C    16.6349  -19.3200
            6   C8x C    15.4224  -18.6200
            7   C8y C    17.8473  -21.4200
            8   C8x C    19.0597  -20.7200
            9   C8y C    19.0597  -19.3200
            10  O2x O    17.8473  -18.6200
            11  O2a O    12.9976  -18.6200
            12  C1y C    12.9976  -21.4200
            13  O2x O    11.8021  -20.7296
            14  C1y C    10.5896  -21.4295
            15  C1y C    10.5894  -22.8295
            16  C1y C    11.7849  -23.5199
            17  C1y C    12.9974  -22.8200
            18  C1b C     9.3584  -20.7185
            19  O1a O    11.7847  -24.9198
            20  O1a O     9.3666  -23.5354
            21  O2a O    14.2266  -23.5300
            22  C1y C    15.4390  -24.2300
            23  C1y C    15.4393  -25.6197
            24  C1y C    16.6518  -26.3195
            25  C1y C    17.8641  -25.6193
            26  C1y C    17.8639  -24.2296
            27  O2x O    16.6514  -23.5298
            28  C1b C    19.0698  -23.5330
            29  O1a O    16.6520  -27.7200
            30  O1a O    14.2501  -26.3068
            31  O1a O    19.0663  -26.3132
            32  O1a O     8.1616  -21.4095
            33  O1a O    20.2544  -24.2166
            34  O5x O    17.8473  -22.6800
            35  C1a C    11.8021  -19.3104
            36  C8y C    20.2573  -18.6285
            37  C8x C    21.4456  -19.3145
            38  C8x C    22.6580  -18.6145
            39  C8y C    22.6580  -17.2145
            40  C8x C    21.4697  -16.5285
            41  C8x C    20.2573  -17.2285
            42  O1a O    23.8844  -16.5063
            43  O1a O    15.4224  -22.5398
BOND        47
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13   12   2 1 #Up
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   12  17 1
            20   14  18 1 #Up
            21   16  19 1 #Up
            22   15  20 1 #Down
            23   17  21 1 #Down
            24   22  21 1 #Down
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   22  27 1
            31   26  28 1 #Down
            32   24  29 1 #Down
            33   23  30 1 #Up
            34   25  31 1 #Up
            35   18  32 1
            36   28  33 1
            37    7  34 2
            38   11  35 1
            39    9  36 1
            40   36  37 2
            41   37  38 1
            42   38  39 2
            43   39  40 1
            44   40  41 2
            45   36  41 1
            46   39  42 1
            47    3  43 1

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