KEGG   COMPOUND: C22452
Entry
C22452                      Compound                               
Name
6,7,8-Trihydroxycoumarin
Formula
C9H6O5
Exact mass
194.0215
Mol weight
194.1409
Structure
Reaction
R12879
Pathway
map00999  Biosynthesis of various plant secondary metabolites
Enzyme
1.14.14.-
LinkDB
KCF data

ATOM        14
            1   C8y C    18.6611  -16.8920
            2   C8y C    18.7135  -15.5047
            3   C8y C    17.4311  -17.5682
            4   O7x O    19.8443  -17.6382
            5   C8x C    17.5185  -14.7645
            6   C8x C    19.9434  -14.8518
            7   C8y C    16.3061  -16.8278
            8   C8y C    21.1443  -16.9094
            9   C8y C    16.2828  -15.4230
            10  C8x C    21.1267  -15.5863
            11  O1a O    15.0004  -17.4923
            12  O6a O    22.2634  -17.7256
            13  O1a O    15.0879  -14.6885
            14  O1a O    17.4311  -18.9682
BOND        15
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 2
            9     6  10 2
            10    7  11 1
            11    8  12 2
            12    9  13 1
            13    7   9 1
            14    8  10 1
            15    3  14 1

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