KEGG   COMPOUND: C11893Help
Entry
C11893                      Compound                               

Name
Cembrene;
Thunbergen;
(+)-Thunbergen;
(+)-Cembrene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010419 Cembrane diterpenoids
     C11893  Cembrene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Cembrenes
    C11893  Cembrene
BRITE hierarchy
Other DBs
CAS: 1898-13-1
PubChem: 14055
ChEBI: 29550
LIPIDMAPS: LMPR0104190002
3DMET: B05553
NIKKAJI: J14.398G
KCF data Show

ATOM        20
            1   C1y C    29.2071  -21.6116
            2   C2x C    28.8753  -20.2609
            3   C1x C    28.0252  -22.3569
            4   C2x C    27.4837  -20.1677
            5   C1x C    26.9539  -21.4602
            6   C2y C    26.9189  -18.8752
            7   C2y C    25.6673  -22.0133
            8   C2x C    25.6148  -18.3512
            9   C1a C    27.8970  -17.8738
            10  C2x C    24.3630  -21.5010
            11  C1a C    25.6904  -23.4106
            12  C1x C    24.2524  -18.9451
            13  C1x C    23.3092  -22.4209
            14  C2x C    23.8157  -20.2143
            15  C1x C    22.1099  -21.7048
            16  C2y C    22.4184  -20.3365
            17  C1a C    21.4985  -19.2828
            18  C1c C    30.5460  -21.9704
            19  C1a C    31.5309  -20.9784
            20  C1a C    30.5389  -23.3634
BOND        20
            1     2   4 2
            2     3   5 1
            3     4   6 1
            4     5   7 1
            5     6   8 2
            6     6   9 1
            7     7  10 2
            8     7  11 1
            9     8  12 1
            10   10  13 1
            11   12  14 1
            12   13  15 1
            13   14  16 2
            14   16  17 1
            15   15  16 1
            16    1  18 1
            17    1   2 1
            18   18  19 1
            19    1   3 1
            20   18  20 1

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