KEGG   COMPOUND: C21687
Entry
C21687                      Compound                               
Name
(3E,7E)-Dolabella-3,7-dien-18-ol;
2-[(1R,3aR,5E,9E,12aR)-3a,6,10-Trimethyl-1,2,3,3a,4,7,8,11,12,12a-decahydrocyclopenta[11]annulen-1-yl]propan-2-ol
Formula
C20H34O
Exact mass
290.2610
Mol weight
290.48
Structure
Reaction
R11832
Enzyme
4.2.3.167
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010424 Dolabellane and modified dolabellane diterpenoids
     C21687  (3E,7E)-Dolabella-3,7-dien-18-ol
Other DBs
PubChem: 350078264
LinkDB
KCF data

ATOM        21
            1   C2x C    16.1266  -16.5539
            2   C1x C    14.9118  -17.2553
            3   C1x C    15.2033  -18.6274
            4   C2y C    16.5985  -18.7741
            5   C2x C    17.1691  -17.4925
            6   C2y C    16.1266  -15.1511
            7   C1x C    17.1185  -14.1592
            8   C1x C    18.5213  -14.1592
            9   C1y C    19.5132  -15.1511
            10  C1z C    19.5132  -16.5539
            11  C1x C    18.5719  -17.4925
            12  C1x C    20.8474  -16.9873
            13  C1x C    21.6719  -15.8525
            14  C1y C    20.8474  -14.7176
            15  C1d C    21.2749  -13.4012
            16  C1a C    22.6207  -13.1147
            17  C1a C    20.3220  -12.3429
            18  C1a C    17.3151  -20.0155
            19  C1a C    19.5132  -17.9567
            20  C1a C    14.7994  -14.6019
            21  O1a O    21.6372  -12.0489
BOND        22
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10    5  11 1
            11   11  10 1
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 1
            19    4  18 1
            20   10  19 1 #Up
            21    6  20 1
            22   15  21 1

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