KEGG   COMPOUND: C07159
Entry
C07159                      Compound                               
Name
2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetate;
2-Oxo-Delta3-4,5,5-trimethylcyclopentenylacetic acid
Formula
C10H14O3
Exact mass
182.0943
Mol weight
182.22
Structure
Other DBs
CAS: 1130-49-0
PubChem: 9368
ChEBI: 28045
NIKKAJI: J2.764.939D
LinkDB
KCF data

ATOM        13
            1   C2y C    25.9015  -18.6621
            2   C1z C    26.3373  -20.0294
            3   C1y C    27.7724  -20.0374
            4   C5x C    28.2234  -18.6750
            5   C2x C    27.0671  -17.8251
            6   C1b C    29.0233  -20.7473
            7   C6a C    30.2661  -20.0298
            8   O6a O    31.5089  -20.7473
            9   O5x O    29.4383  -18.2419
            10  C1a C    25.4900  -21.1820
            11  C1a C    24.9291  -19.7983
            12  C1a C    24.5525  -18.2155
            13  O6a O    30.2661  -18.8819
BOND        13
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     3   6 1
            7     6   7 1
            8     7   8 1
            9     4   9 2
            10    2  10 1
            11    2  11 1
            12    1  12 1
            13    7  13 2

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