KEGG   COMPOUND: C09961Help
Entry
C09961                      Compound                               

Name
Gentianamine
Formula
C11H11NO3
Exact mass
205.0739
Mol weight
205.2099
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 22952-54-1
PubChem: 12147
ChEBI: 5316
KNApSAcK: C00001976
3DMET: B05403
NIKKAJI: J19.881A
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    27.7900  -20.2300
            2   C8y C    27.7900  -18.8300
            3   C1y C    26.6000  -20.9300
            4   C8y C    28.9800  -20.9300
            5   C7x C    26.5300  -18.1300
            6   C8x C    28.9800  -18.1300
            7   C1x C    25.3400  -20.2300
            8   C1b C    26.6000  -22.3300
            9   C8x C    30.1700  -20.2300
            10  C2b C    28.9800  -22.3300
            11  O7x O    25.3400  -18.8300
            12  O6a O    26.5300  -16.7300
            13  N5x N    30.1700  -18.8300
            14  O1a O    27.7900  -23.0300
            15  C2a C    30.2400  -23.0300
BOND        16
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 2
            12    6  13 2
            13    8  14 1
            14   10  15 2
            15    7  11 1
            16    9  13 1

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