KEGG   COMPOUND: C09745Help
Entry
C09745                      Compound                               

Name
beta-Vetivone
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C09745  beta-Vetivone
BRITE hierarchy
Other DBs
CAS: 18444-79-6
PubChem: 11933
ChEBI: 10448
KNApSAcK: C00003199
3DMET: B03244
NIKKAJI: J13.551H
KCF data Show

ATOM        16
            1   C1z C    27.8890  -18.6721
            2   C1x C    28.2451  -20.0211
            3   C1x C    29.0509  -17.9132
            4   C1y C    26.6803  -19.3728
            5   C2y C    27.8890  -17.2650
            6   C2y C    29.6407  -20.0212
            7   C1x C    30.1371  -18.7890
            8   C1x C    25.4599  -18.6664
            9   C1a C    26.6803  -20.7742
            10  C2x C    26.6803  -16.5643
            11  C1a C    29.1034  -16.5702
            12  C2c C    30.3999  -21.2706
            13  C5x C    25.4599  -17.2650
            14  C1a C    29.7633  -22.5202
            15  C1a C    31.8011  -21.2705
            16  O5x O    24.2454  -16.5643
BOND        17
            1     1   2 1 #Down
            2     1   3 1 #Up
            3     1   4 1
            4     1   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    8  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 2
            16    6   7 1
            17   10  13 1

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