KEGG   COMPOUND: C09629Help
Entry
C09629                      Compound                               

Name
beta-Caryophyllene;
Caryophyllene;
(-)-beta-Caryophyllene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010312 Caryophyllane sesquiterpenoids
     C09629  beta-Caryophyllene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Humulenes
    C09629  beta-Caryophyllene
BRITE hierarchy
Other DBs
CAS: 87-44-5
PubChem: 11819
ChEBI: 10357
ChEMBL: CHEMBL445740
LIPIDMAPS: LMPR0103120001
KNApSAcK: C00003110
3DMET: B03144
NIKKAJI: J3.212C
KCF data Show

ATOM        15
            1   C1y C    27.3844  -17.0485
            2   C1y C    27.3844  -18.4749
            3   C1x C    28.3885  -16.0575
            4   C1z C    25.9521  -17.0544
            5   C1x C    25.9521  -18.4808
            6   C2y C    28.3885  -19.4907
            7   C1x C    29.8147  -16.0575
            8   C1a C    24.9317  -16.0458
            9   C1a C    24.5611  -17.4252
            10  C1x C    29.8147  -19.4907
            11  C2a C    27.8489  -20.8055
            12  C2y C    30.8188  -17.0485
            13  C1x C    30.8188  -18.4749
            14  C2x C    29.8030  -18.0643
            15  C1a C    32.1865  -16.6791
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     6  10 1
            10    6  11 2
            11    7  12 1
            12   10  13 1
            13   12  14 2
            14   12  15 1
            15    4   5 1
            16   13  14 1

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