KEGG   COMPOUND: C12182
Entry
C12182                      Compound                               
Name
Trisphaeridine;
Trispheridine
Formula
C14H9NO2
Exact mass
223.0633
Mol weight
223.2268
Structure
Other DBs
CAS: 224-11-3
PubChem: 14328
ChEBI: 32266
KNApSAcK: C00029148
NIKKAJI: J673.498G
LinkDB
KCF data

ATOM        17
            1   C8x C    27.2336  -22.0048
            2   C8x C    27.2336  -19.2017
            3   C8x C    32.1551  -19.2266
            4   C8x C    32.0966  -17.8286
            5   C8x C    30.8907  -17.1163
            6   C8x C    29.6733  -17.8090
            7   C8y C    26.0230  -21.3006
            8   C8y C    26.0198  -19.8985
            9   O2x O    24.6851  -19.4705
            10  C1x C    23.8609  -20.6081
            11  O2x O    24.6903  -21.7418
            12  C8y C    28.4383  -19.8990
            13  C8y C    28.4383  -21.3006
            14  C8x C    29.6530  -22.0048
            15  N5x N    30.8677  -21.3006
            16  C8y C    30.8677  -19.8990
            17  C8y C    29.6530  -19.2017
BOND        20
            1     7   1 2
            2     1  13 1
            3    12   2 1
            4     7   8 1
            5     8   9 1
            6     9  10 1
            7    10  11 1
            8    11   7 1
            9    16   3 1
            10    3   4 2
            11    4   5 1
            12    5   6 2
            13    6  17 1
            14    2   8 2
            15   12  13 2
            16   13  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  12 1

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