KEGG   COMPOUND: C21249
Entry
C21249                      Compound                               
Name
Cetoniacytone B
Formula
C7H9NO4
Exact mass
171.0532
Mol weight
171.15
Structure
Reaction
R11255
Pathway
map00525  Acarbose and validamycin biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 315431338
LinkDB
KCF data

ATOM        12
            1   C5x C    17.4266  -15.8869
            2   C2x C    17.4266  -17.2867
            3   C2y C    18.6164  -17.9865
            4   C1y C    19.8762  -17.2867
            5   C1y C    19.8762  -15.8869
            6   C1z C    18.6164  -15.1871
            7   C1b C    18.6164  -13.7873
            8   O1a O    19.8062  -13.0175
            9   N1a N    18.6164  -19.3863
            10  O5x O    16.2369  -15.1871
            11  O1a O    21.0659  -17.9865
            12  O2x O    19.8988  -14.5571
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1
            8     7   8 1
            9     3   9 1
            10    1  10 2
            11    4  11 1 #Up
            12    6  12 1 #Down
            13    5  12 1 #Down

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