KEGG   COMPOUND: C09909
Entry
C09909                      Compound                               
Name
Thymyl acetate
Formula
C12H16O2
Exact mass
192.115
Mol weight
192.2542
Structure
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C09909  Thymyl acetate
Other DBs
CAS: 528-79-0
PubChem: 12095
ChEBI: 9583
KNApSAcK: C00003065
3DMET: B03371
NIKKAJI: J6.677J
KCF data

ATOM        14
            1   C8y C    22.8382  -16.1754
            2   C8y C    24.0448  -15.4700
            3   C8x C    21.6197  -15.4700
            4   C1c C    22.8382  -17.5746
            5   C8x C    24.0448  -14.0708
            6   O7a O    25.2459  -16.1696
            7   C8x C    21.6197  -14.0708
            8   C1a C    21.6255  -18.2742
            9   C1a C    24.0507  -18.2742
            10  C8y C    22.8382  -13.3712
            11  C7a C    26.4584  -15.4643
            12  C1a C    22.8382  -11.9720
            13  C1a C    27.6711  -16.1637
            14  O6a O    26.4527  -14.0591
BOND        14
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11   10  12 1
            12   11  13 1
            13   11  14 2
            14    7  10 2

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