KEGG   COMPOUND: C16775Help
Entry
C16775                      Compound                               

Name
beta-Bisabolene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol fileKCF fileDB search
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  beta-Bisabolene
BRITE hierarchy
Other DBs
CAS: 495-61-4
PubChem: 96023299
ChEBI: 49263
ChEMBL: CHEMBL1077088
KNApSAcK: C00007242
NIKKAJI: J12.574A
LinkDB All DBs
KCF data Show

ATOM        15
            1   C1y C    29.5786  -21.2666
            2   C1x C    29.5786  -22.6764
            3   C2x C    30.7769  -23.3813
            4   C2y C    31.9753  -22.6764
            5   C1x C    31.9753  -21.2666
            6   C1x C    30.7769  -20.5616
            7   C1a C    33.2441  -23.3813
            8   C2c C    28.3547  -20.5665
            9   C1b C    27.1579  -21.2643
            10  C1b C    25.9532  -20.5752
            11  C2b C    24.7637  -21.2685
            12  C2c C    23.5553  -20.5772
            13  C1a C    22.3675  -21.2695
            14  C1a C    23.6191  -19.1523
            15  C2a C    28.3487  -19.1521
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 #Up
            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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