KEGG   COMPOUND: C19677
Entry
C19677                      Compound                               

Name
Germacra-1(10),4,11(13)-trien-12-al
Formula
C15H22O
Exact mass
218.1671
Mol weight
218.3346
Structure
Reaction
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Germacrenes
    C19677  Germacra-1(10),4,11(13)-trien-12-al
Other DBs
PubChem: 135626145
KCF data

ATOM        16
            1   C2x C    25.6618  -14.6119
            2   C2y C    26.7573  -13.7493
            3   C1x C    28.1210  -14.0603
            4   C1x C    28.7222  -15.3120
            5   C2x C    25.6618  -16.0193
            6   C1y C    28.1219  -16.5776
            7   C1x C    26.7573  -16.8891
            8   C1x C    24.3237  -14.1770
            9   C1x C    23.4964  -15.3155
            10  C2y C    24.3237  -16.4540
            11  C1a C    23.8941  -17.7756
            12  C1a C    26.4437  -12.3586
            13  C2c C    28.9725  -17.6376
            14  C4a C    28.4583  -18.9609
            15  C2a C    30.3805  -17.4210
            16  O4a O    29.3173  -20.0306
BOND        16
            1     3   4 1
            2     4   6 1
            3     2   3 1
            4     5   7 1
            5     1   2 2
            6     6   7 1
            7     1   8 1
            8     8   9 1
            9     9  10 1
            10    5  10 2
            11   10  11 1
            12    2  12 1
            13    6  13 1 #Up
            14   13  14 1
            15   13  15 2
            16   14  16 2

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