KEGG   COMPOUND: C20185
Entry
C20185                      Compound                               
Name
(12E)-9alpha-Labda-8(17),12,14-triene;
syn-Labda-8(17),12E,14-triene;
(4aS,5R,8aS)-1,1,4a-Trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dien-1-yl]decahydronaphthalene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.47
Structure
Reaction
R09899
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
4.2.3.99
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010403 Labdane and halimane diterpenoids
     C20185  (12E)-9alpha-Labda-8(17),12,14-triene
Other DBs
PubChem: 163311928
LinkDB
KCF data

ATOM        20
            1   C1z C    15.6068  -17.6859
            2   C1y C    15.6011  -19.0649
            3   C1y C    16.8131  -17.0048
            4   C1x C    14.4062  -16.9992
            5   C1a C    15.5955  -16.3239
            6   C1z C    14.4062  -19.7571
            7   C1x C    16.8017  -19.7628
            8   C2y C    17.9896  -17.6972
            9   C1b C    16.8188  -15.6192
            10  C1x C    13.2115  -17.6859
            11  C1x C    13.2115  -19.0649
            12  C1a C    15.0287  -21.2946
            13  C1a C    13.8310  -21.2946
            14  C1x C    17.9896  -19.0762
            15  C2b C    18.4254  -14.9326
            16  C2c C    20.0920  -15.6429
            17  C1a C    20.0737  -17.0106
            18  C2b C    21.2799  -14.9621
            19  C2a C    19.0597  -17.0753
            20  C2a C    22.4979  -15.6704
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1 #Down
            9     4  10 1
            10    6  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    9  15 1
            15   15  16 2
            16   16  17 1
            17   16  18 1
            18    8  14 1
            19   10  11 1
            20    8  19 2
            21   18  20 2

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