KEGG   COMPOUND: C07594
Entry
C07594                      Compound                               
Name
Pyrethrin I
Formula
C21H28O3
Exact mass
328.2038
Mol weight
328.4452
Structure
Remark
Same as: D08452
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010206 Cyclopropane and cyclobutane monoterpenoids
     C07594  Pyrethrin I
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Others
    C07594  Pyrethrin I
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  956  Bath and disinfectants preparations
   9569  Other bath and disinfectants preparations
    C07594  Pyrethrin I
 99  Agents for not mainly purpose of therapeutic
  993  Insecticides and insect-repellents
   9931  Pyrethrum and preparations (including synthetic)
    C07594  Pyrethrin I
Other DBs
CAS: 121-21-1
PubChem: 9796
ChEBI: 27815
KNApSAcK: C00003056
3DMET: B02131
NIKKAJI: J108.004K
LinkDB
KCF data

ATOM        24
            1   C1y C    21.3350  -20.1498
            2   C1y C    22.7390  -20.1381
            3   C1z C    22.0311  -18.9213
            4   C2b C    20.1240  -19.4477
            5   C7a C    23.9500  -19.4420
            6   C1a C    21.3233  -17.7103
            7   C1a C    22.7273  -17.7103
            8   C2c C    18.9130  -20.1440
            9   O7a O    25.1551  -20.1381
            10  O6a O    23.9500  -18.0379
            11  C1a C    18.9072  -21.5481
            12  C1a C    17.7079  -19.4477
            13  C1y C    26.3720  -19.4420
            14  C2y C    27.7701  -19.4420
            15  C1x C    25.9390  -18.1081
            16  C2y C    28.2088  -18.1081
            17  C1a C    28.5950  -20.5710
            18  C5x C    27.0739  -17.2833
            19  C1b C    29.4141  -17.4061
            20  O5x O    27.0739  -15.8850
            21  C2b C    30.6191  -18.1022
            22  C2b C    31.8301  -17.4061
            23  C2b C    31.8327  -16.0065
            24  C2a C    33.0462  -15.3089
BOND        25
            1     2   5 1 #Down
            2     3   6 1
            3     3   7 1
            4     4   8 2
            5     5   9 1
            6     5  10 2
            7     8  11 1
            8     8  12 1
            9    13   9 1 #Up
            10   13  14 1
            11   13  15 1
            12   14  16 2
            13   14  17 1
            14   15  18 1
            15   16  19 1
            16   18  20 2
            17   19  21 1
            18   21  22 2
            19    2   3 1
            20   16  18 1
            21    1   2 1
            22    1   3 1
            23    1   4 1 #Up
            24   22  23 1
            25   23  24 2

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