KEGG   COMPOUND: C12258
Entry
C12258                      Compound                               
Name
Arnottin II
Formula
C20H14O7
Exact mass
366.074
Mol weight
366.321
Structure
Other DBs
PubChem: 14403
ChEBI: 31238
NIKKAJI: J2.420.109K
LinkDB
KCF data

ATOM        27
            1   C1z C    26.6401  -17.7486
            2   O7x O    25.3606  -17.1796
            3   C7x C    24.4240  -18.2207
            4   C2x C    26.6401  -16.3482
            5   C5x C    27.8557  -18.4487
            6   C2x C    27.8557  -15.6481
            7   C8y C    29.0642  -16.3482
            8   C8y C    29.0583  -17.7486
            9   C8x C    30.2680  -18.4538
            10  C8x C    30.2799  -15.6532
            11  C8y C    31.4895  -16.3586
            12  C8y C    31.4870  -17.7630
            13  O2x O    32.8220  -18.1995
            14  C1x C    33.6494  -17.0649
            15  O2x O    32.8260  -15.9270
            16  C8y C    26.4945  -19.1412
            17  C8y C    25.1250  -19.4269
            18  C8y C    24.6878  -20.7555
            19  C8y C    25.6198  -21.7987
            20  C8x C    26.9892  -21.5131
            21  C8x C    27.4266  -20.1842
            22  O6a O    23.0312  -18.0768
            23  O5x O    28.5425  -19.6581
            24  O2a O    23.3170  -21.0415
            25  O2a O    25.1821  -23.1288
            26  C1a C    23.8113  -23.4148
            27  C1a C    22.1040  -19.9975
BOND        31
            1     1   5 1
            2     5   8 1
            3     7   6 1
            4    11  12 2
            5    12  13 1
            6    13  14 1
            7    14  15 1
            8    15  11 1
            9     6   4 2
            10    3  17 1
            11   16   1 1
            12    1   2 1 #Up
            13    7   8 1
            14   16  17 2
            15   17  18 1
            16   18  19 2
            17   19  20 1
            18   20  21 2
            19   21  16 1
            20    8   9 2
            21    3  22 2
            22    9  12 1
            23    5  23 2
            24   11  10 1
            25   18  24 1
            26   10   7 2
            27   19  25 1
            28    2   3 1
            29   25  26 1
            30    4   1 1
            31   24  27 1

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