KEGG   COMPOUND: C17126Help
Entry
C17126                      Compound                               

Name
Neobyakangelicol
Formula
C17H16O6
Exact mass
316.0947
Mol weight
316.3053
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 96023591
ChEBI: 80942
ChEMBL: CHEMBL1699927
NIKKAJI: J142.157C
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    18.4100  -25.8300
            2   C8x C    18.4100  -27.2300
            3   C8x C    19.6224  -27.9300
            4   C8y C    20.8349  -27.2300
            5   C8y C    20.8349  -25.8300
            6   O7x O    19.6224  -25.1300
            7   C8y C    22.0473  -27.9300
            8   C8y C    23.2597  -27.2300
            9   C8y C    23.2597  -25.8300
            10  C8y C    22.0473  -25.1300
            11  C8x C    24.5912  -27.6626
            12  C8x C    25.4141  -26.5300
            13  O2x O    24.5912  -25.3974
            14  O2a O    22.0473  -29.3300
            15  C1a C    23.2618  -30.0312
            16  O6a O    17.1976  -25.1300
            17  O2a O    22.0473  -23.7300
            18  C1b C    23.2618  -23.0288
            19  C1c C    23.2618  -21.6302
            20  C2c C    24.4579  -20.9395
            21  O1a O    22.0330  -20.9206
            22  C1a C    25.6453  -21.6251
            23  C2a C    24.4580  -19.5303
BOND        25
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15    9  13 1
            16    7  14 1
            17   14  15 1
            18    1  16 2
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   20  22 1
            25   20  23 2

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