KEGG   COMPOUND: C08503
Entry
C08503                      Compound                               
Name
Pinolidoxin
Formula
C18H26O6
Exact mass
338.1729
Mol weight
338.3954
Structure
Other DBs
CAS: 152985-39-2
PubChem: 10696
ChEBI: 8223
KNApSAcK: C00001319
NIKKAJI: J843.332A
KCF data

ATOM        24
            1   C1y C    23.1576  -19.2024
            2   O7x O    24.3514  -18.5037
            3   C1y C    21.9407  -18.5037
            4   C1b C    23.1576  -20.6059
            5   C7x C    25.5628  -19.2083
            6   C1y C    21.9407  -17.1002
            7   O1a O    20.7294  -19.2083
            8   C1b C    21.9464  -21.3047
            9   C1y C    26.7798  -18.5095
            10  O6a O    25.5568  -20.6116
            11  C2x C    23.1576  -16.4073
            12  O1a O    20.7294  -16.4014
            13  C1a C    21.9522  -22.7081
            14  O7a O    27.9910  -19.2199
            15  C1x C    26.7856  -17.1119
            16  C2x C    24.3573  -17.1002
            17  C7a C    29.2081  -18.5211
            18  C1x C    25.5744  -16.4073
            19  C2b C    30.4193  -19.2316
            20  O6a O    29.2140  -17.1235
            21  C2b C    31.6364  -18.5328
            22  C2b C    32.8361  -19.2432
            23  C2b C    34.0532  -18.5444
            24  C1a C    35.2644  -19.2490
BOND        24
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    6  12 1
            12    8  13 1
            13    9  14 1
            14    9  15 1
            15   11  16 2
            16   14  17 1
            17   15  18 1
            18   17  19 1
            19   17  20 2
            20   19  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   16  18 1

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