KEGG   COMPOUND: C02162Help
Entry
C02162                      Compound                               

Name
Isopimpinellin;
5,8-Dimethoxypsoralen
Formula
C13H10O5
Exact mass
246.0528
Mol weight
246.2155
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of phenylpropanoids
Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Coumarins
   Furanocoumarins
    C02162  Isopimpinellin
BRITE hierarchy
Other DBs
CAS: 
482-27-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C8y C    28.3500  -16.3100
            2   C8y C    28.3500  -17.7100
            3   C8y C    29.6100  -15.5400
            4   O7x O    27.1600  -15.5400
            5   C8y C    29.6100  -18.4100
            6   C8x C    27.1600  -18.4100
            7   C8y C    30.8000  -16.3100
            8   O2a O    29.6100  -14.2800
            9   C8y C    25.9700  -16.3100
            10  C8y C    30.8000  -17.7100
            11  O2a O    29.6100  -19.6000
            12  C8x C    25.9700  -17.7100
            13  O2x O    32.2000  -15.8200
            14  C1a C    30.8700  -13.5800
            15  O6a O    24.7800  -15.6100
            16  C8x C    32.2000  -18.1300
            17  C1a C    28.3500  -20.3700
            18  C8x C    32.9700  -17.0100
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 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   11  17 1
            17   13  18 1
            18    7  10 2
            19    9  12 1
            20   16  18 2

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