KEGG   COMPOUND: C09991
Entry
C09991                      Compound                               
Name
Valerianine
Formula
C11H15NO
Exact mass
177.1154
Mol weight
177.2429
Structure
Other DBs
CAS: 30634-66-3
PubChem: 12177
ChEBI: 9922
KNApSAcK: C00001986
3DMET: B03438
NIKKAJI: J2.369.861G
LinkDB
KCF data

ATOM        13
            1   C8y C    28.1753  -18.7429
            2   C8y C    28.1855  -20.1406
            3   C8y C    26.9407  -18.0620
            4   C1x C    29.4992  -18.2932
            5   C1y C    29.5168  -20.5520
            6   C8x C    26.9931  -20.8653
            7   C8x C    25.7404  -18.7848
            8   C1b C    26.9164  -16.6523
            9   C1x C    30.3310  -19.4143
            10  C1a C    29.5430  -21.9536
            11  N5x N    25.7696  -20.1915
            12  O2a O    25.7212  -15.9892
            13  C1a C    24.5115  -16.7158
BOND        14
            1     1   3 1
            2     1   4 1
            3     2   5 1
            4     2   6 1
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     5  10 1 #Down
            9     6  11 2
            10    5   9 1
            11    7  11 1
            12    1   2 2
            13    8  12 1
            14   12  13 1

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