KEGG   COMPOUND: C09285
Entry
C09285                      Compound                               
Name
Pimpinellin
Formula
C13H10O5
Exact mass
246.0528
Mol weight
246.2155
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C09285  Pimpinellin
Other DBs
CAS: 131-12-4
PubChem: 11476
ChEBI: 8213
KNApSAcK: C00002493
3DMET: B02830
NIKKAJI: J5.558A
KCF data

ATOM        18
            1   C8y C    27.6909  -18.3866
            2   C8y C    28.9041  -17.6983
            3   C8y C    26.5592  -17.6692
            4   C8x C    27.3759  -19.7515
            5   C8y C    28.9274  -16.3043
            6   O7x O    30.1058  -18.4157
            7   C8y C    26.5009  -16.2750
            8   O2x O    25.4276  -18.5908
            9   C8x C    25.9817  -19.8798
            10  C8y C    27.7259  -15.5810
            11  C8x C    30.1465  -15.6217
            12  C8y C    31.3949  -17.7391
            13  O2a O    25.2934  -15.5576
            14  O2a O    27.7376  -14.1810
            15  C8x C    31.3482  -16.3391
            16  O6a O    32.5264  -18.4566
            17  C1a C    24.0685  -16.2459
            18  C1a C    28.9567  -13.4985
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13   10  14 1
            14   11  15 2
            15   12  16 2
            16   13  17 1
            17   14  18 1
            18    7  10 2
            19    8   9 1
            20   12  15 1

» Japanese version

  All links  
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
All databases (5)   

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