KEGG   COMPOUND: C09905Help
Entry
C09905                      Compound                               

Name
gamma-Thujaplicin;
5-Isopropyltropolone
Formula
C10H12O2
Exact mass
164.0837
Mol weight
164.2011
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Monoterpenoids (C10)
   Cyclic monoterpenes
    C09905  gamma-Thujaplicin
BRITE hierarchy
Other DBs
CAS: 672-76-4
PubChem: 12091
ChEBI: 10578
ChEMBL: CHEMBL1275999
KNApSAcK: C00003063
3DMET: B03368
NIKKAJI: J13.747B
KCF data Show

ATOM        12
            1   C2y C    24.6400  -16.2494
            2   C2x C    23.3764  -15.6382
            3   C2x C    25.9036  -15.6439
            4   C1c C    24.6400  -17.6470
            5   C2x C    23.0679  -14.2697
            6   C2x C    26.2121  -14.2756
            7   C1a C    23.4289  -18.3457
            8   C1a C    25.8570  -18.3457
            9   C5x C    23.9412  -13.1751
            10  C2y C    25.3328  -13.1808
            11  O5x O    23.3357  -11.9172
            12  O1a O    25.9443  -11.9231
BOND        12
            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 1
            8     5   9 1
            9     6  10 2
            10    9  11 2
            11   10  12 1
            12    9  10 1

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