KEGG   COMPOUND: C09960
Entry
C09960                      Compound                               
Name
Gentianaine
Formula
C6H7NO3
Exact mass
141.0426
Mol weight
141.1247
Structure
Other DBs
CAS: 58213-76-6
PubChem: 12146
ChEBI: 5315
KNApSAcK: C00001975
3DMET: B03414
NIKKAJI: J82.222A
KCF data

ATOM        10
            1   C2y C    28.0118  -19.8791
            2   C5x C    29.2287  -19.1805
            3   C7x C    26.8009  -19.1805
            4   C2b C    28.0235  -21.2823
            5   C1x C    29.2287  -17.7831
            6   O5x O    30.4456  -19.8732
            7   O7x O    26.8009  -17.7831
            8   O6a O    25.5956  -19.8791
            9   N1a N    29.2404  -21.9750
            10  C1x C    28.0118  -17.0785
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    7  10 1

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