KEGG   COMPOUND: C16908Help
Entry
C16908                      Compound                               

Name
Caryophyllene epoxide;
Caryophyllene oxide
Formula
C15H24O
Exact mass
220.1827
Mol weight
220.3505
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010312 Caryophyllane sesquiterpenoids
     C16908  Caryophyllene epoxide
BRITE hierarchy
Other DBs
CAS: 1139-30-6
PubChem: 96023401
ChEBI: 67818
ChEMBL: CHEMBL508894
KNApSAcK: C00012483
NIKKAJI: J38.590E
KCF data Show

ATOM        16
            1   C1x C    33.3504  -27.9177
            2   C1x C    32.1421  -27.2317
            3   C1y C    30.9436  -27.9351
            4   C1y C    30.9536  -29.3247
            5   C2y C    32.1620  -30.0110
            6   C1x C    33.3603  -29.3074
            7   C1x C    34.6849  -29.7274
            8   C1y C    35.4937  -28.5973
            9   C1z C    34.6687  -27.4790
            10  C1z C    29.5540  -27.9451
            11  C1x C    29.5640  -29.3346
            12  C2a C    32.1022  -31.4220
            13  O2x O    36.0085  -27.1096
            14  C1a C    34.6588  -26.0892
            15  C1a C    29.1847  -26.6054
            16  C1a C    28.2091  -27.5950
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     1   9 1
            10    3  10 1
            11   10  11 1
            12    4  11 1
            13    5  12 2
            14    8  13 1 #Down
            15    9  14 1
            16   10  15 1
            17   10  16 1
            18    9  13 1 #Up

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