KEGG   COMPOUND: C09971
Entry
C09971                      Compound                               
Name
Stypandrol
Formula
C26H22O6
Exact mass
430.1416
Mol weight
430.45
Structure
Other DBs
CAS: 99305-33-6
PubChem: 12157
ChEBI: 9294
KNApSAcK: C00003018
NIKKAJI: J211.390B
LinkDB
KCF data

ATOM        32
            1   C8y C    25.0360  -19.9054
            2   C8y C    25.0418  -21.3098
            3   C8y C    26.2482  -19.2060
            4   C8y C    23.8354  -19.2118
            5   C8x C    26.2598  -22.0092
            6   C8x C    23.8354  -22.0092
            7   C8y C    27.4662  -19.8937
            8   O1a O    26.2424  -17.8016
            9   C8y C    22.6175  -19.9054
            10  O1a O    23.8354  -17.8073
            11  C8x C    27.4721  -21.2982
            12  C8y C    22.6175  -21.3098
            13  C8y C    28.6726  -19.1944
            14  C5a C    21.4052  -19.2118
            15  C1a C    21.4052  -22.0151
            16  C8y C    29.8849  -19.8878
            17  C8x C    28.7309  -17.7956
            18  C1a C    20.1931  -19.9054
            19  O5a O    21.4052  -17.8073
            20  C8y C    31.0970  -19.1827
            21  O1a O    29.8849  -21.2865
            22  C8x C    29.8732  -17.0846
            23  C8y C    31.0913  -17.7840
            24  C8y C    32.3091  -19.8763
            25  C8x C    32.2976  -17.0789
            26  C8y C    33.5155  -19.1769
            27  O1a O    32.3150  -21.2748
            28  C8y C    33.5098  -17.7782
            29  C5a C    34.7219  -19.8763
            30  C1a C    34.7219  -17.0672
            31  C1a C    35.9342  -19.1886
            32  O5a O    34.7161  -21.2808
BOND        35
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 1
            18   14  19 2
            19   16  20 1
            20   16  21 1
            21   17  22 2
            22   20  23 2
            23   20  24 1
            24   23  25 1
            25   24  26 2
            26   24  27 1
            27   25  28 2
            28   26  29 1
            29   28  30 1
            30   29  31 1
            31   29  32 2
            32    7  11 1
            33    9  12 1
            34   22  23 1
            35   26  28 1

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