KEGG   COMPOUND: C17776
Entry
C17776                      Compound                               
Name
Gambiriin B2
Formula
C30H26O11
Exact mass
562.1475
Mol weight
562.5208
Structure
Other DBs
PubChem: 96024095
ChEBI: 81329
KNApSAcK: C00030341
NIKKAJI: J2.420.627K
LinkDB
KCF data

ATOM        41
            1   C8x C    20.0200  -19.4600
            2   C8y C    18.8300  -20.2300
            3   C8x C    18.8300  -21.5600
            4   C8y C    20.0900  -22.3300
            5   C8y C    21.2100  -21.6300
            6   C8y C    21.2100  -20.1600
            7   O1a O    22.4700  -19.4600
            8   O1a O    17.6400  -19.5300
            9   O1a O    20.0900  -23.7300
            10  C1b C    22.4700  -22.2600
            11  C1y C    22.4700  -23.6600
            12  C8y C    22.9600  -25.9000
            13  C8y C    24.1500  -25.2000
            14  C1y C    23.8700  -23.8000
            15  O2x O    21.9100  -24.9900
            16  C8x C    22.9600  -27.3000
            17  C8y C    24.2200  -28.0000
            18  C8y C    25.4100  -27.3000
            19  C8y C    25.4100  -25.9000
            20  C1x C    26.6000  -28.0000
            21  C1y C    27.7900  -27.3000
            22  C1y C    27.7900  -25.9000
            23  O2x O    26.6000  -25.2000
            24  C8y C    25.0600  -23.1000
            25  C8y C    29.0500  -25.1300
            26  O1a O    29.0500  -28.0000
            27  C8x C    30.2400  -25.9000
            28  C8y C    31.5000  -25.1300
            29  C8y C    31.5000  -23.7300
            30  C8x C    30.2400  -23.0300
            31  C8x C    29.0500  -23.7300
            32  O1a O    32.6900  -23.0300
            33  O1a O    32.6900  -25.8300
            34  C8x C    26.3200  -23.8000
            35  C8x C    27.5100  -23.1000
            36  C8y C    27.5100  -21.7000
            37  C8y C    26.2500  -21.0000
            38  C8x C    25.0600  -21.7000
            39  O1a O    28.7000  -21.0000
            40  O1a O    26.2500  -19.6000
            41  O1a O    24.2200  -29.4000
BOND        46
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     2   8 1
            9     4   9 1
            10    5  10 1
            11   11  10 1 #Up
            12   12  13 1
            13   13  14 1
            14   14  11 1
            15   11  15 1
            16   12  15 1
            17   12  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   13  19 2
            22   18  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   19  23 1
            27   14  24 1 #Down
            28   22  25 1 #Up
            29   21  26 1 #Up
            30   25  27 2
            31   27  28 1
            32   28  29 2
            33   29  30 1
            34   30  31 2
            35   25  31 1
            36   29  32 1
            37   28  33 1
            38   24  34 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   24  38 2
            44   36  39 1
            45   37  40 1
            46   17  41 1

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