KEGG   COMPOUND: C09767Help
Entry
C09767                      Compound                               

Name
Amarogentin
Formula
C29H30O13
Exact mass
586.1686
Mol weight
586.5407
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 21018-84-8
PubChem: 11955
ChEBI: 2622
KNApSAcK: C00003070
3DMET: B03265
NIKKAJI: J16.196I
LinkDB All DBs
KCF data Show

ATOM        42
            1   C7a C    28.6366  -21.8094
            2   C8y C    29.8449  -22.5070
            3   O7a O    28.6084  -20.4283
            4   O6a O    27.4354  -22.5070
            5   C8y C    29.8374  -23.8874
            6   C8x C    31.0386  -24.5778
            7   C8y C    32.2397  -23.8874
            8   C8x C    32.2397  -22.4992
            9   C8y C    31.0386  -21.8016
            10  C8y C    28.6275  -24.5746
            11  C8x C    27.4317  -23.8815
            12  C8x C    26.2287  -24.5689
            13  C8x C    26.2252  -25.9569
            14  C8y C    27.4244  -26.6577
            15  C8x C    28.6275  -25.9633
            16  O1a O    31.0335  -20.4136
            17  O1a O    33.4409  -24.5778
            18  O1a O    27.4207  -28.0457
            19  C1y C    27.4204  -19.7367
            20  C1y C    27.4097  -18.3441
            21  C1y C    26.2272  -20.4508
            22  O2a O    28.8627  -17.2657
            23  O2x O    26.1905  -17.6574
            24  C1y C    25.0079  -19.7712
            25  O1a O    26.2378  -21.8434
            26  C1y C    24.9924  -18.3759
            27  O1a O    23.8048  -20.4797
            28  C1b C    23.7731  -17.6892
            29  O1a O    22.5813  -18.4025
            30  C1y C    28.8642  -15.8782
            31  C1y C    27.6642  -15.1725
            32  O2x O    30.0760  -15.1785
            33  C1y C    27.6702  -13.7801
            34  C2b C    26.4528  -15.8723
            35  C2x C    30.0760  -13.7860
            36  C2y C    28.8759  -13.0932
            37  C1x C    26.4585  -13.0932
            38  C2a C    25.2467  -15.1609
            39  C7x C    28.8759  -11.7008
            40  C1x C    26.4585  -11.7008
            41  O7x O    27.6702  -10.9953
            42  O6a O    30.0819  -10.9953
BOND        46
            1     2   5 2
            2     5   6 1
            3    10  11 2
            4    11  12 1
            5    19   3 1 #Down
            6    19  20 1
            7    19  21 1
            8    20  22 1 #Up
            9    20  23 1
            10   21  24 1
            11   21  25 1 #Up
            12   23  26 1
            13   24  27 1 #Down
            14   26  28 1 #Up
            15   24  26 1
            16   12  13 2
            17   28  29 1
            18   13  14 1
            19   14  15 2
            20   15  10 1
            21    6   7 2
            22    9  16 1
            23    7   8 1
            24    7  17 1
            25    8   9 2
            26   14  18 1
            27    9   2 1
            28    1   3 1
            29    5  10 1
            30    1   2 1
            31    1   4 2
            32   30  31 1
            33   30  32 1
            34   31  33 1
            35   31  34 1 #Down
            36   32  35 1
            37   33  36 1
            38   33  37 1
            39   34  38 2
            40   36  39 1
            41   37  40 1
            42   39  41 1
            43   39  42 2
            44   35  36 2
            45   40  41 1
            46   30  22 1 #Up

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