KEGG   COMPOUND: C20000
Entry
C20000                      Compound                               
Name
Onchidal;
[E,(+)]-2-[(E)-2-Acetoxyethenyl]-4-(2,2-dimethyl-6-methylenecyclohexyl)-2-butenal
Formula
C17H24O3
Exact mass
276.1725
Mol weight
276.37
Structure
Brite
Natural toxins [BR:br08009]
 Venoms
  Mollusk venoms
   Others
    C20000  Onchidal
Other DBs
CAS: 67656-42-2
PubChem: 135626466
ChEBI: 181394
KNApSAcK: C00011560
LinkDB
KCF data

ATOM        20
            1   C1x C    16.7300  -18.6900
            2   C1x C    16.7300  -20.0900
            3   C1x C    17.9424  -20.7900
            4   C1z C    19.1549  -20.0900
            5   C1y C    19.1549  -18.6900
            6   C2y C    17.9424  -17.9900
            7   C2a C    17.9424  -16.5902
            8   C1b C    20.3924  -17.9900
            9   C2b C    21.6049  -18.6900
            10  C2c C    22.8173  -17.9900
            11  C4a C    24.0297  -18.6900
            12  C2b C    22.8173  -16.5900
            13  C2b C    24.0318  -15.8888
            14  O7a O    24.0318  -14.4888
            15  C7a C    25.2273  -13.7984
            16  C1a C    26.4156  -14.4845
            17  O6a O    25.2274  -12.3903
            18  O4a O    25.2273  -17.9985
            19  C1a C    20.3860  -20.8010
            20  C1a C    20.3861  -19.3791
BOND        20
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     5   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   10  12 1
            13   12  13 2
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   15  17 2
            18   11  18 2
            19    4  19 1
            20    4  20 1

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