KEGG   COMPOUND: C09957
Entry
C09957                      Compound                               
Name
Gentianadine
Formula
C8H7NO2
Exact mass
149.0477
Mol weight
149.1467
Structure
Other DBs
CAS: 6790-32-5
PubChem: 12143
ChEBI: 5314
KNApSAcK: C00001974
3DMET: B03411
NIKKAJI: J13.201B
LinkDB
KCF data

ATOM        11
            1   C8y C    27.9300  -20.5800
            2   C8y C    27.9300  -19.1800
            3   C1x C    26.7400  -21.2800
            4   C8x C    29.1900  -21.2800
            5   C7x C    26.7400  -18.4800
            6   C8x C    29.1900  -18.4800
            7   C1x C    25.5500  -20.5100
            8   C8x C    30.3800  -20.5800
            9   O7x O    25.5500  -19.1800
            10  O6a O    26.7400  -17.0800
            11  N5x N    30.3800  -19.1800
BOND        12
            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     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7   9 1
            12    8  11 1

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