KEGG   COMPOUND: C19964
Entry
C19964                      Compound                               
Name
(13S)-Isotuberculosinol
Formula
C20H34O
Exact mass
290.2610
Mol weight
290.48
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010403 Labdane and halimane diterpenoids
     C19964  (13S)-Isotuberculosinol
Other DBs
PubChem: 135626430
LinkDB
KCF data

ATOM        21
            1   C1x C    17.2170  -20.3975
            2   C1x C    17.2170  -21.7892
            3   C1z C    18.4222  -22.4849
            4   C2y C    19.6274  -21.7892
            5   C1y C    19.6274  -20.3975
            6   C1x C    18.4222  -19.7016
            7   C2x C    20.8324  -22.4849
            8   C1x C    22.0376  -21.7892
            9   C1y C    22.0376  -20.3975
            10  C1z C    20.8324  -19.7016
            11  C1a C    23.5071  -20.4773
            12  C1b C    20.8324  -17.7535
            13  C1b C    22.0397  -17.0565
            14  C1d C    23.2290  -17.7433
            15  C2b C    24.4086  -17.0623
            16  C2a C    25.5930  -17.7463
            17  C1a C    21.8984  -19.3539
            18  C1a C    23.2290  -19.5549
            19  C1a C    17.7225  -23.6967
            20  C1a C    19.1218  -23.6967
            21  O1a O    24.4415  -18.7233
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Up
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   10  17 1 #Up
            19   14  18 1
            20    3  19 1
            21    3  20 1
            22   14  21 1 #Up

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