KEGG   COMPOUND: C20260Help
Entry
C20260                      Compound                               

Name
(+)-Thujan-3-one;
(+)-Isothujone
Formula
C10H16O
Exact mass
152.1201
Mol weight
152.2334
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
CAS: 471-15-8
PubChem: 163312000
ChEMBL: CHEMBL3277898
KCF data Show

ATOM        11
            1   C1z C    18.5611  -16.9407
            2   C1y C    17.7081  -15.8306
            3   C1x C    17.1763  -17.1335
            4   C1x C    19.8816  -16.4850
            5   C1c C    18.5494  -18.3430
            6   C1y C    18.5143  -14.6795
            7   C5x C    19.8523  -15.0886
            8   C1a C    17.3341  -19.0325
            9   C1a C    19.7530  -19.0501
            10  C1a C    18.0585  -13.3590
            11  O5x O    20.9684  -14.2413
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 1
            9     6  10 1 #Down
            10    7  11 2
            11    2   3 1
            12    6   7 1

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