KEGG   COMPOUND: C17845
Entry
C17845                      Compound                               
Name
(+)-Aschantin
Formula
C22H24O7
Exact mass
400.1522
Mol weight
400.4218
Structure
Other DBs
CAS: 13060-15-6
PubChem: 163311849
ChEBI: 229060
KNApSAcK: C00029744
KCF data

ATOM        29
            1   C1y C    24.3600  -24.4300
            2   C1y C    25.7600  -24.4300
            3   C1y C    26.1800  -23.1000
            4   O2x O    25.0600  -22.2600
            5   C1x C    23.9400  -23.1000
            6   C1y C    23.9400  -25.7600
            7   O2x O    25.0600  -26.6000
            8   C1x C    26.1800  -25.7600
            9   C8y C    20.3000  -26.4600
            10  C8y C    20.3000  -27.8600
            11  C8x C    21.4900  -28.5600
            12  C8x C    22.7500  -27.8600
            13  C8y C    22.7500  -26.4600
            14  C8x C    21.4900  -25.7600
            15  C8x C    27.3700  -21.0000
            16  C8y C    27.3700  -22.4000
            17  C8x C    28.5600  -23.1000
            18  C8y C    29.8200  -22.4000
            19  C8y C    29.8200  -21.0000
            20  C8y C    28.5600  -20.3000
            21  O2a O    31.0100  -20.3000
            22  O2a O    31.0100  -23.1000
            23  C1a C    32.2000  -22.4000
            24  C1a C    32.2000  -21.0000
            25  O2x O    18.9700  -26.0400
            26  C1x C    18.1300  -27.1600
            27  O2x O    18.9700  -28.2800
            28  O2a O    28.5428  -18.9001
            29  C1a C    29.7552  -18.2001
BOND        33
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   8 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16    6  13 1 #Down
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23    3  16 1 #Down
            24   19  21 1
            25   18  22 1
            26   22  23 1
            27   21  24 1
            28    9  25 1
            29   25  26 1
            30   26  27 1
            31   10  27 1
            32   20  28 1
            33   28  29 1

» Japanese version

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

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