KEGG   COMPOUND: C16269
Entry
C16269                      Compound                               
Name
(+)-epi-Isozizaene;
(3S,3aR,6S)-3,7,7,8-Tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene
Formula
C15H24
Exact mass
204.1878
Mol weight
204.3511
Structure
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.15.39      4.2.3.37
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010370 Zizaane and prezizaane sesquiterpenoids
     C16269  (+)-epi-Isozizaene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Bisabolanes
    C16269  (+)-epi-Isozizaene
Other DBs
PubChem: 47205577
ChEBI: 51458
LIPIDMAPS: LMPR0103700005
PDB-CCD: EL3[PDBj]
NIKKAJI: J2.799.299D
KCF data

ATOM        15
            1   C1z C    23.0764  -18.6469
            2   C2y C    23.0764  -20.0139
            3   C2y C    24.2604  -20.6975
            4   C1z C    25.4443  -20.0139
            5   C1y C    25.4443  -18.6469
            6   C1y C    21.7763  -18.2245
            7   C1x C    20.9728  -19.3304
            8   C1x C    21.7763  -20.4364
            9   C1x C    24.3969  -18.2932
            10  C1x C    25.1025  -17.0748
            11  C1x C    23.4539  -17.0753
            12  C1a C    24.2604  -22.0644
            13  C1a C    21.3576  -16.9359
            14  C1a C    26.7966  -19.6516
            15  C1a C    26.4342  -21.0039
BOND        17
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   6 1
            6     6   7 1
            7     7   8 1
            8     2   8 1
            9     1   9 1 #Up
            10    5   9 1 #Up
            11    5  10 1
            12    1  11 1
            13   11  10 1
            14    3  12 1
            15    6  13 1 #Down
            16    4  14 1
            17    4  15 1

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