KEGG   COMPOUND: C10463
Entry
C10463                      Compound                               
Name
Grandidentatin
Formula
C21H28O9
Exact mass
424.1733
Mol weight
424.4416
Structure
Other DBs
CAS: 15732-48-6
PubChem: 12646
ChEBI: 5534
KNApSAcK: C00002749
3DMET: B03868
NIKKAJI: J17.295B
LinkDB
KCF data

ATOM        30
            1   C2b C    30.4761  -22.2246
            2   C8y C    31.6743  -21.5318
            3   C2b C    29.2779  -21.5318
            4   C7a C    28.0796  -22.2246
            5   O7a O    26.6976  -21.3409
            6   O6a O    28.0796  -23.6105
            7   C1y C    23.1020  -19.2693
            8   C1y C    23.1020  -20.6550
            9   C1y C    24.3033  -21.3480
            10  C1y C    25.4972  -20.6550
            11  C1y C    25.4972  -19.2693
            12  O2x O    24.3033  -18.5762
            13  C1b C    21.8970  -18.5757
            14  O1a O    20.6985  -19.2679
            15  O1a O    21.8970  -21.3485
            16  O1a O    24.3050  -22.7337
            17  O2a O    26.8091  -18.4288
            18  C8x C    32.8713  -22.2236
            19  C8x C    34.0697  -21.5307
            20  C8y C    34.0697  -20.1449
            21  C8x C    32.8713  -19.4520
            22  C8x C    31.6660  -20.1449
            23  O1a O    35.2679  -19.4520
            24  C1x C    28.0090  -16.2572
            25  C1y C    28.0090  -17.6429
            26  C1y C    29.2101  -18.3360
            27  C1x C    30.4042  -17.6429
            28  C1x C    30.4042  -16.2572
            29  C1x C    29.2101  -15.5642
            30  O1a O    29.2119  -19.7217
BOND        32
            1     4   5 1
            2     9  16 1 #Up
            3    10   5 1 #Down
            4     1   3 2
            5    11  17 1 #Up
            6     4   6 2
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11    2  18 2
            12   18  19 1
            13   19  20 2
            14   20  21 1
            15   21  22 2
            16   22   2 1
            17   11  12 1
            18   20  23 1
            19   12   7 1
            20    1   2 1
            21    7  13 1 #Up
            22    4   3 1
            23   13  14 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  24 1
            30   25  17 1 #Down
            31    8  15 1 #Down
            32   26  30 1 #Down

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