KEGG   COMPOUND: C16976Help
Entry
C16976                      Compound                               

Name
Isoimperatorin
Formula
C16H14O4
Exact mass
270.0892
Mol weight
270.28
Structure
Mol fileKCF fileDB searchJmolKegDraw
Other DBs
CAS: 
482-45-1
PubChem: 
ChEBI: 
ChEMBL: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    18.8300  -18.9000
            2   C8x C    18.8300  -20.3000
            3   C8x C    20.0424  -21.0000
            4   C8y C    21.2549  -20.3000
            5   C8y C    21.2549  -18.9000
            6   O7x O    20.0424  -18.2000
            7   C8y C    22.4673  -21.0000
            8   C8y C    23.6797  -20.3000
            9   C8y C    23.6797  -18.9000
            10  C8x C    22.4673  -18.2000
            11  C8x C    26.1046  -20.3000
            12  C8x C    26.1046  -18.9000
            13  O2x O    24.8922  -18.2000
            14  O6a O    17.6176  -18.2000
            15  O2a O    22.4673  -22.4000
            16  C1b C    23.6818  -23.1012
            17  C2b C    23.6818  -24.5012
            18  C2c C    22.4537  -25.2104
            19  C1a C    21.2490  -24.5150
            20  C1a C    22.4539  -26.5999
BOND        22
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    1  14 2
            17    7  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   18  20 1

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