KEGG   COMPOUND: C16671
Entry
C16671                      Compound                               

Name
3,6-Dihydronicotinic acid
Formula
C6H7NO2
Exact mass
125.0477
Mol weight
125.1253
Structure
Reaction
Pathway
map00960  Tropane, piperidine and pyridine alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 51090994
ChEBI: 80653
NIKKAJI: J492.788E
KCF data

ATOM        9
            1   C2x C    21.1245  -15.3161
            2   C1x C    21.1245  -16.7146
            3   N2x N    22.3356  -17.4139
            4   C2x C    23.5468  -16.7146
            5   C1y C    23.5468  -15.3161
            6   C2x C    22.3356  -14.6169
            7   C6a C    24.7766  -14.6059
            8   O6a O    25.9806  -15.3008
            9   O6a O    24.7766  -13.2074
BOND        9
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 1
            9     7   9 2

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