KEGG   COMPOUND: C09009
Entry
C09009                      Compound                               
Name
Isobutyrylmallotochromene
Formula
C26H30O8
Exact mass
470.1941
Mol weight
470.51
Structure
Other DBs
CAS: 116964-16-0
PubChem: 11201
ChEBI: 5992
KNApSAcK: C00002430
LinkDB
KCF data

ATOM        34
            1   C8y C    28.5950  -19.5281
            2   C8y C    28.6162  -20.8523
            3   C8y C    29.7774  -21.5707
            4   C8y C    29.7774  -18.8520
            5   C8y C    30.9457  -19.5281
            6   C8y C    30.9398  -20.8946
            7   C2x C    32.1163  -21.5757
            8   C2x C    33.2988  -20.9049
            9   C1z C    33.3047  -19.5384
            10  O2x O    32.1283  -18.8572
            11  O1a O    29.7808  -22.9298
            12  C5a C    29.7793  -17.4928
            13  O5a O    28.6006  -16.8081
            14  C1c C    30.9525  -16.8111
            15  C1a C    32.1311  -17.4959
            16  O1a O    27.4159  -18.8515
            17  C8y C    22.7001  -19.6057
            18  C8y C    22.7001  -20.9649
            19  C8y C    23.8825  -21.6481
            20  C8y C    25.0579  -20.9649
            21  C8y C    25.0579  -19.6057
            22  C8y C    23.8825  -18.9296
            23  C1b C    26.8998  -21.8866
            24  O1a O    26.2308  -18.9304
            25  C5a C    23.8844  -17.5632
            26  O1a O    21.5210  -18.9289
            27  C1a C    21.5210  -21.6488
            28  O2a O    23.8844  -23.0074
            29  C1a C    22.7057  -23.6920
            30  O5a O    22.7057  -16.8855
            31  C1a C    25.0576  -16.8886
            32  C1a C    34.5143  -18.8446
            33  C1a C    34.4850  -20.3457
            34  C1a C    30.9523  -15.4167
BOND        36
            1     7   8 2
            2     1  16 1
            3     8   9 1
            4     9  10 1
            5    10   5 1
            6     3  11 1
            7     1   2 1
            8    17  18 1
            9    18  19 2
            10   19  20 1
            11   20  21 2
            12   21  22 1
            13   22  17 2
            14    4  12 1
            15   20  23 1
            16   23   2 1
            17    2   3 2
            18   21  24 1
            19   12  13 2
            20   22  25 1
            21    3   6 1
            22   17  26 1
            23   12  14 1
            24   18  27 1
            25    5   4 1
            26   19  28 1
            27   14  15 1
            28   28  29 1
            29    4   1 2
            30   25  30 2
            31   25  31 1
            32    9  32 1
            33    5   6 2
            34    9  33 1
            35    6   7 1
            36   14  34 1

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