KEGG   COMPOUND: C09022Help
Entry
C09022                      Compound                               

Name
Affinisine
Formula
C20H24N2O
Exact mass
308.1889
Mol weight
308.4174
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 2912-11-0
PubChem: 11214
ChEBI: 2503
KNApSAcK: C00001676
3DMET: B05304
NIKKAJI: J14.412F
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    31.9900  -20.7900
            2   C8x C    31.9900  -22.1900
            3   C8x C    33.2024  -22.8900
            4   C8y C    34.4149  -22.1900
            5   C8y C    34.4149  -20.7900
            6   C8x C    33.2024  -20.0900
            7   N4y N    35.6273  -22.8900
            8   C8y C    36.8397  -22.1900
            9   C8y C    36.8397  -20.7900
            10  C1y C    38.0522  -22.8900
            11  N1y N    39.2646  -22.1900
            12  C1y C    39.2646  -20.7900
            13  C1x C    38.0522  -20.0900
            14  C1x C    38.0522  -24.2900
            15  C1y C    39.2646  -24.9900
            16  C2y C    40.4770  -24.2900
            17  C1x C    40.4770  -22.8900
            18  C2b C    41.6895  -24.9900
            19  C1a C    41.6895  -26.3900
            20  C1y C    40.4770  -20.0900
            21  C1b C    41.8293  -19.7277
            22  O1a O    42.8192  -20.7176
            23  C1a C    35.6273  -24.2900
BOND        27
            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 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   11  17 1
            21   16  18 2
            22   18  19 1
            23   12  20 1 #Up
            24   15  20 1 #Up
            25   20  21 1
            26   21  22 1
            27    7  23 1

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