KEGG   COMPOUND: C19737Help
Entry
C19737                      Compound                               

Name
(+)-endo-beta-Bergamotene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Bisabolanes
    C19737  (+)-endo-beta-Bergamotene
BRITE hierarchy
Other DBs
CAS: 6895-56-3
PubChem: 135626204
ChEBI: 61678
KCF data Show

ATOM        15
            1   C1y C    18.6200  -14.7700
            2   C1z C    18.6200  -16.1700
            3   C1y C    19.8324  -16.8700
            4   C1x C    21.0449  -16.1700
            5   C1x C    21.0449  -14.7700
            6   C2y C    19.8324  -14.0700
            7   C1b C    17.4076  -16.8700
            8   C1b C    16.2121  -16.1796
            9   C2b C    15.0247  -16.8651
            10  C2c C    13.8335  -16.1771
            11  C1a C    12.6440  -16.8638
            12  C1a C    13.8335  -14.7703
            13  C2a C    19.8324  -12.6702
            14  C1a C    17.4076  -15.4700
            15  C1x C    19.8324  -15.4700
BOND        16
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1 #Down
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   10  12 1
            13    6  13 2
            14    2  14 1 #Up
            15    1  15 1 #Up
            16    3  15 1 #Up

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