KEGG   COMPOUND: C10707
Entry
C10707                      Compound                               
Name
Neoisostegane
Formula
C23H26O7
Exact mass
414.1679
Mol weight
414.4483
Structure
Brite
Phytochemical compounds [BR:br08003]
 Phenylpropanoids
  Lignans
   Lignans
    C10707  Neoisostegane
Other DBs
CAS: 87084-98-8
PubChem: 12890
ChEBI: 7505
KNApSAcK: C00002613
3DMET: B04078
NIKKAJI: J2.783.532E
KCF data

ATOM        30
            1   C7x C    27.9539  -24.4491
            2   O7x O    28.8122  -23.3567
            3   C1x C    28.0455  -22.1946
            4   C1y C    26.7018  -22.5704
            5   C1y C    26.6444  -24.0300
            6   C8y C    23.5125  -24.0693
            7   C8y C    24.5789  -25.0379
            8   C1x C    25.8538  -21.7442
            9   C8y C    24.2414  -26.3279
            10  C1x C    25.9216  -25.0379
            11  C8y C    22.8986  -26.7134
            12  O2a O    22.5657  -28.0805
            13  C1a C    21.2233  -28.4651
            14  C8x C    22.3216  -24.3397
            15  C8y C    21.8912  -25.7519
            16  O2a O    20.5397  -26.1002
            17  C1a C    20.1729  -27.4484
            18  O2a O    25.2381  -27.3006
            19  C1a C    26.5752  -26.9177
            20  O6a O    28.3191  -25.7893
            21  C8y C    23.5121  -22.6375
            22  C8y C    24.6178  -21.7812
            23  C8x C    24.4316  -20.3980
            24  C8y C    23.1397  -19.8712
            25  C8y C    22.0342  -20.7206
            26  C8x C    22.2274  -22.1036
            27  O2a O    22.9524  -18.4790
            28  O2a O    20.7339  -20.1902
            29  C1a C    20.5465  -18.7981
            30  C1a C    21.6520  -17.9418
BOND        33
            1     4   5 1
            2     5   1 1
            3     6  14 1
            4     1   2 1
            5    11  15 1
            6     2   3 1
            7     3   4 1
            8    21   6 1
            9    14  15 2
            10   15  16 1
            11   16  17 1
            12    6   7 2
            13    9  18 1
            14   18  19 1
            15   22   8 1
            16    1  20 2
            17    7   9 1
            18    7  10 1
            19    8   4 1
            20    9  11 2
            21   10   5 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   24  25 1
            26   25  26 2
            27   26  21 1
            28   24  27 1
            29   11  12 1
            30   25  28 1
            31   12  13 1
            32   28  29 1
            33   27  30 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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