KEGG   COMPOUND: C09716
Entry
C09716                      Compound                               
Name
Roridin A
Formula
C29H40O9
Exact mass
532.2672
Mol weight
532.6225
Structure
Other DBs
CAS: 14729-29-4
PubChem: 11904
ChEBI: 8891
KNApSAcK: C00003179
3DMET: B03218
NIKKAJI: J37.160B
LinkDB
KCF data

ATOM        38
            1   C1z C    28.4536  -17.2004
            2   C1z C    27.2848  -17.8684
            3   C1y C    28.3895  -15.8447
            4   O2x O    27.5400  -16.1174
            5   C1x C    27.0514  -17.2465
            6   C1z C    26.1215  -17.1947
            7   C1y C    29.7966  -17.8707
            8   C1a C    27.2731  -19.2114
            9   C1x C    29.8096  -15.8447
            10  O2x O    27.2963  -15.1708
            11  C1y C    26.1274  -15.8388
            12  C1x C    24.9526  -17.8626
            13  C1x C    26.5557  -18.4188
            14  C2x C    24.9526  -15.1651
            15  C1x C    23.7836  -17.1947
            16  C2y C    23.7836  -15.8388
            17  C1a C    22.6145  -15.1651
            18  O7x O    31.0280  -18.4953
            19  C7x C    32.2052  -17.8049
            20  C2x C    33.3870  -18.4894
            21  O6a O    32.2052  -16.4429
            22  C2x C    33.3870  -19.8512
            23  C2x C    32.2052  -20.5358
            24  C2x C    32.2052  -21.8978
            25  C1y C    31.0234  -22.5752
            26  O2x O    29.8487  -21.8978
            27  C1x C    28.6669  -22.5752
            28  C1x C    27.4852  -21.8978
            29  C1y C    26.3034  -22.5752
            30  C1y C    25.1216  -21.8978
            31  C1c C    31.0234  -23.9370
            32  C1a C    32.2052  -24.6216
            33  O1a O    29.8487  -24.6216
            34  O1a O    23.9467  -22.5752
            35  C7x C    25.1216  -20.5358
            36  O6a O    23.9467  -19.8512
            37  O7x O    26.3037  -19.8501
            38  C1a C    26.3034  -23.9370
BOND        42
            1     7  18 1 #Up
            2     1   2 1
            3    18  19 1
            4     1   3 1
            5    19  20 1
            6     1   4 1 #Down
            7    19  21 2
            8     1   5 1
            9    20  22 2
            10    2   6 1
            11   22  23 1
            12    2   7 1
            13   23  24 2
            14    2   8 1 #Up
            15   24  25 1
            16    3   9 1
            17   25  26 1
            18    3  10 1
            19   26  27 1
            20    6  11 1
            21   27  28 1
            22    6  12 1
            23   28  29 1
            24    6  13 1 #Down
            25   29  30 1
            26   11  14 1
            27   25  31 1
            28   12  15 1
            29   31  32 1
            30   14  16 2
            31   31  33 1 #Up
            32   16  17 1
            33    4   5 1
            34   30  34 1 #Down
            35    7   9 1
            36   30  35 1
            37   35  37 1
            38   10  11 1
            39   35  36 2
            40   15  16 1
            41   13  37 1
            42   29  38 1 #Up

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