KEGG   COMPOUND: C22617
Entry
C22617                      Compound                               
Name
(+)-exo-beta-Bergamotene;
beta-trans-Bergamotene;
(1S,5S,6R)-6-Methyl-2-methylidene-6-(4-methylpent-3-enyl)bicyclo[3.1.1]heptane
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Reaction
R13104 R13117 R13118
Pathway
map00998  Biosynthesis of various antibiotics
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00969  Fumagillin biosynthesis, farnesyl-PP => fumagillin
Enzyme
1.14.14.184     4.2.3.211
Other DBs
CAS: 15438-94-5
LinkDB
KCF data

ATOM        15
            1   C1y C    20.5066  -15.5879
            2   C1z C    20.5062  -17.0567
            3   C1y C    21.6953  -17.6862
            4   C1x C    22.8843  -16.9867
            5   C1x C    22.8843  -15.5879
            6   C2y C    21.6953  -14.8884
            7   C2a C    21.6953  -13.4895
            8   C1b C    19.3141  -17.7913
            9   C1b C    18.0921  -17.0858
            10  C2b C    16.8703  -17.7913
            11  C2c C    15.6484  -17.0858
            12  C1a C    14.4414  -17.7826
            13  C1a C    15.6483  -15.6750
            14  C1a C    20.5062  -18.4677
            15  C1x C    21.7240  -16.2911
BOND        16
            1     1   2 1
            2     3   2 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            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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