KEGG   COMPOUND: C12168Help
Entry
C12168                      Compound                               

Name
Crinamidine
Formula
C17H19NO5
Exact mass
317.1263
Mol weight
317.3365
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 14315
ChEBI: 31436
KNApSAcK: C00024382
NIKKAJI: J14.114C
KCF data Show

ATOM        23
            1   C8y C    26.7051  -21.2193
            2   C8x C    26.7051  -18.4863
            3   C8y C    27.8876  -19.1696
            4   C8y C    27.8817  -20.5360
            5   C1x C    29.0582  -21.2243
            6   N1y N    30.2479  -20.5463
            7   C1z C    29.0702  -18.4916
            8   C1y C    30.2479  -19.1828
            9   C1x C    31.4372  -18.5114
            10  C1y C    31.4485  -17.1485
            11  C1x C    30.2488  -17.7961
            12  C1x C    31.4252  -19.8529
            13  C8y C    25.5155  -20.5360
            14  C8y C    25.5218  -19.1765
            15  O2x O    24.2229  -18.7555
            16  C1x C    23.4292  -19.8576
            17  O2x O    24.2242  -20.9586
            18  O2a O    26.7619  -22.5857
            19  C1a C    28.0819  -23.2804
            20  O1a O    32.6225  -16.4509
            21  C1y C    29.0815  -17.1287
            22  C1y C    30.2702  -16.4512
            23  O2x O    29.0864  -15.7629
BOND        28
            1    21   7 1
            2     3   2 1
            3     7  11 1 #Up
            4     3   4 2
            5     6  12 1 #Up
            6    11  12 1
            7     4   5 1
            8     5   6 1
            9     6   8 1
            10    7   3 1
            11    2  14 2
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  13 1
            17    1  18 1
            18   13   1 2
            19   18  19 1
            20    1   4 1
            21    7   8 1
            22   10  20 1 #Down
            23    8   9 1
            24    9  10 1
            25   10  22 1
            26   21  22 1
            27   21  23 1 #Up
            28   22  23 1 #Up

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