KEGG   COMPOUND: C16775
Entry
C16775                      Compound                               

Name
(S)-beta-Bisabolene;
beta-Bisabolene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
Enzyme
4.2.3.55        5.5.1.17
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010306 Bisabolane sesquiterpenoids
     C16775  beta-Bisabolene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Bisabolanes
    C16775  (S)-beta-Bisabolene
Other DBs
CAS: 495-61-4
PubChem: 96023299
ChEBI: 49263
ChEMBL: CHEMBL1077088
KNApSAcK: C00007242
NIKKAJI: J12.574A
KCF data

ATOM        15
            1   C1y C    20.4084  -16.1565
            2   C1x C    20.4084  -17.5663
            3   C2x C    21.6067  -18.2712
            4   C2y C    22.8051  -17.5663
            5   C1x C    22.8051  -16.1565
            6   C1x C    21.6067  -15.4515
            7   C1a C    24.0739  -18.2712
            8   C2c C    19.1846  -15.4564
            9   C1b C    17.9878  -16.1542
            10  C1b C    16.7831  -15.4651
            11  C2b C    15.5936  -16.1584
            12  C2c C    14.3852  -15.4671
            13  C1a C    13.1974  -16.1594
            14  C1a C    14.4490  -14.0422
            15  C2a C    19.1786  -14.0420
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   12  14 1
            15    8  15 2

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