KEGG   COMPOUND: C17904Help
Entry
C17904                      Compound                               

Name
alpha-Allokainic acid
Formula
C10H15NO4
Exact mass
213.1001
Mol weight
213.2304
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 4071-39-0
PubChem: 103061388
ChEBI: 81374
ChEMBL: CHEMBL1598042
KCF data Show

ATOM        15
            1   C1y C    23.3426  -22.8535
            2   C1y C    24.7524  -22.8535
            3   C1x C    25.1753  -21.5142
            4   N1x N    24.0475  -20.6683
            5   C1y C    22.9196  -21.5142
            6   C2c C    25.9507  -23.5584
            7   C1a C    27.1491  -22.8535
            8   C2a C    25.9507  -24.9683
            9   C1b C    22.1442  -23.5584
            10  C6a C    21.7213  -20.8093
            11  O6a O    20.5229  -21.5142
            12  O6a O    21.7213  -19.3995
            13  C6a C    22.1442  -24.9683
            14  O6a O    20.9459  -25.6732
            15  O6a O    23.3426  -25.6732
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1 #Up
            7     6   7 1
            8     6   8 2
            9     1   9 1 #Down
            10    5  10 1 #Up
            11   10  11 1
            12   10  12 2
            13    9  13 1
            14   13  14 1
            15   13  15 2

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