KEGG   COMPOUND: C01853
Entry
C01853                      Compound                               

Name
Stipitatate;
Stipitatic acid;
3,6-Dihydroxy-5-oxo-1,3,6-cycloheptatriene-1-carboxylic acid
Formula
C8H6O5
Exact mass
182.0215
Mol weight
182.1302
Structure
Reaction
Enzyme
Other DBs
CAS: 4440-39-5
PubChem: 4970
ChEBI: 15957
3DMET: B00360
NIKKAJI: J57.868A
KCF data

ATOM        13
            1   C2y C    22.9374  -15.5247
            2   C2x C    21.6359  -15.1994
            3   C2x C    23.5645  -16.8686
            4   C6a C    23.7413  -14.7788
            5   C2y C    20.5813  -16.1671
            6   C2y C    22.9132  -18.0357
            7   O6a O    25.1137  -15.0306
            8   O6a O    23.1979  -13.4722
            9   C5x C    20.6066  -17.4085
            10  O1a O    19.4017  -15.5216
            11  C2x C    21.6664  -18.2909
            12  O1a O    23.5384  -19.4637
            13  O5x O    19.3948  -18.2364
BOND        13
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6  11 2
            11    6  12 1
            12    9  13 2
            13    9  11 1

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