KEGG   COMPOUND: C17047
Entry
C17047                      Compound                               
Name
Phellopterin
Formula
C17H16O5
Exact mass
300.0998
Mol weight
300.3059
Structure
Other DBs
CAS: 2543-94-4
PubChem: 96023525
ChEBI: 80887
KNApSAcK: C00030987
NIKKAJI: J13.263B
LinkDB
KCF data

ATOM        22
            1   C8y C    30.6600  -20.0900
            2   C8x C    30.6600  -18.6900
            3   C8x C    29.4700  -17.9900
            4   C8y C    28.2800  -18.6900
            5   C8y C    28.2800  -20.0900
            6   O7x O    29.4700  -20.7900
            7   C8y C    27.0200  -17.9900
            8   C8y C    25.8300  -18.6900
            9   C8y C    25.8300  -20.0900
            10  C8y C    27.0200  -20.7900
            11  C8x C    24.5000  -18.2700
            12  C8x C    23.6600  -19.3900
            13  O2x O    24.5000  -20.5100
            14  O6a O    31.8500  -20.7900
            15  O2a O    27.0200  -16.5900
            16  C1a C    25.8300  -15.8900
            17  O2a O    27.0200  -22.1900
            18  C1b C    28.2353  -22.8851
            19  C2b C    29.4237  -22.1922
            20  C2c C    30.6202  -22.8764
            21  C1a C    31.8013  -22.1880
            22  C1a C    30.6263  -24.2895
BOND        24
            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    1  14 2
            17    7  15 1
            18   15  16 1
            19   10  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 2
            23   20  21 1
            24   20  22 1

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