KEGG   COMPOUND: C16914
Entry
C16914                      Compound                               
Name
Isobyakangelicol;
Anhydrobyakangelicin
Formula
C17H16O6
Exact mass
316.0947
Mol weight
316.3053
Structure
Other DBs
PubChem: 96023407
ChEBI: 80792
LinkDB
KCF data

ATOM        23
            1   C8y C    15.8900  -17.7800
            2   C8y C    15.8900  -19.1800
            3   C8y C    17.1024  -19.8800
            4   C8y C    18.3149  -19.1800
            5   C8y C    18.3149  -17.7800
            6   C8y C    17.1024  -17.0800
            7   O7x O    19.5273  -19.8800
            8   C8y C    20.7397  -19.1800
            9   C8x C    20.7397  -17.7800
            10  C8x C    19.5273  -17.0800
            11  C8x C    14.5585  -17.3474
            12  C8x C    13.7356  -18.4800
            13  O2x O    14.5585  -19.6126
            14  O6a O    21.9373  -19.8715
            15  O2a O    17.1024  -15.6802
            16  C1a C    18.2980  -14.9898
            17  O2a O    17.1024  -21.2798
            18  C1b C    18.2980  -21.9702
            19  C5a C    18.2982  -23.3797
            20  C1c C    19.4895  -24.0676
            21  O5a O    17.0647  -24.0922
            22  C1a C    20.6744  -23.3835
            23  C1a C    19.4897  -25.4797
BOND        25
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    1  11 1
            13   11  12 2
            14   12  13 1
            15    2  13 1
            16    8  14 2
            17    6  15 1
            18   15  16 1
            19    3  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 2
            24   20  22 1
            25   20  23 1

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