KEGG   COMPOUND: C21248
Entry
C21248                      Compound                               
Name
2-Aminovalienone
Formula
C7H11NO4
Exact mass
173.0688
Mol weight
173.17
Structure
Reaction
R11252
Pathway
map00525  Acarbose and validamycin biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 315431337
ChEBI: 176924
LinkDB
KCF data

ATOM        12
            1   C1y C    17.4268  -15.8871
            2   C1y C    17.4268  -17.2868
            3   C1y C    18.6166  -17.9867
            4   C5x C    19.8763  -17.2868
            5   C2x C    19.8763  -15.8871
            6   C2y C    18.6166  -15.1872
            7   C1b C    18.6166  -13.7874
            8   O1a O    19.8064  -13.0175
            9   O1a O    16.2370  -17.9867
            10  N1a N    18.6166  -19.3864
            11  O1a O    16.2370  -15.1872
            12  O5x O    21.0661  -17.9867
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1
            11    1  11 1 #Down
            12    4  12 2

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