KEGG   COMPOUND: C21371
Entry
C21371                      Compound                               

Name
Validone
Formula
C7H12O5
Exact mass
176.0685
Mol weight
176.1672
Structure
Reaction
Enzyme
Other DBs
PubChem: 319902601
LinkDB
KCF data

ATOM        12
            1   C1y C    17.3949  -15.8516
            2   C1y C    17.3949  -17.2544
            3   C1y C    18.5872  -17.9558
            4   C5x C    19.8498  -17.2544
            5   C1x C    19.8498  -15.8516
            6   C1y C    18.5872  -15.1502
            7   C1b C    18.5872  -13.7474
            8   O1a O    19.7796  -13.0460
            9   O1a O    16.2025  -17.9558
            10  O1a O    18.5872  -19.3586
            11  O1a O    16.2025  -15.1502
            12  O5x O    21.0421  -17.9558
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Up
            8     7   8 1
            9     2   9 1 #Up
            10    3  10 1 #Down
            11    1  11 1 #Down
            12    4  12 2

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