KEGG   COMPOUND: C20811
Entry
C20811                      Compound                               
Name
(-)-exo-alpha-Bergamotene;
trans-alpha-Bergamotene;
(1S,5S,6R)-2,6-Dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.35
Structure
Reaction
R10732
Enzyme
4.2.3.81
Other DBs
PubChem: 254741278
LinkDB
KCF data

ATOM        15
            1   C1y C    20.4912  -15.7700
            2   C1z C    20.4908  -17.2427
            3   C1y C    21.6831  -17.8739
            4   C1x C    22.8753  -17.1725
            5   C2x C    22.8753  -15.7700
            6   C2y C    21.6831  -15.0686
            7   C1a C    21.6831  -13.6660
            8   C1b C    19.2955  -17.9792
            9   C1b C    18.0703  -17.2719
            10  C2b C    16.8452  -17.9792
            11  C2c C    15.6201  -17.2719
            12  C1a C    14.4099  -17.9705
            13  C1a C    15.6200  -15.8573
            14  C1a C    20.4908  -18.6574
            15  C1x C    21.7118  -16.4750
BOND        16
            1     1   2 1
            2     3   2 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     2   8 1 #Up
            9     8   9 1
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   11  13 1
            14    2  14 1 #Down
            15    1  15 1 #Up
            16    3  15 1 #Up

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