KEGG   COMPOUND: C09140Help
Entry
C09140                      Compound                               

Name
Neocembrene;
Cembrene A;
(R)-Cembrene A;
(1E,5E,9E,12R)-1,5,9-Trimethyl-12-(propan-2-en-2-yl)cyclotetradeca-1,5,9-triene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010419 Cembrane diterpenoids
     C09140  Neocembrene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Cembrenes
    C09140  Neocembrene
BRITE hierarchy
Other DBs
CAS: 31570-39-5
PubChem: 11332
ChEBI: 82800
ChEMBL: CHEMBL518765
LIPIDMAPS: LMPR0104190001
KNApSAcK: C00003458
3DMET: B02712
NIKKAJI: J18.005J
KCF data Show

ATOM        20
            1   C1y C    28.0404  -16.5951
            2   C1x C    26.8515  -17.3179
            3   C1x C    27.7140  -15.2370
            4   C2c C    29.3343  -17.1255
            5   C1x C    25.7907  -16.4202
            6   C2x C    26.3269  -15.1322
            7   C2a C    29.3109  -18.5127
            8   C1a C    30.4475  -16.2745
            9   C2y C    24.4969  -16.9622
            10  C2y C    25.7791  -13.8325
            11  C2x C    23.1912  -16.4435
            12  C1a C    24.5085  -18.3611
            13  C1x C    24.4793  -13.2962
            14  C1a C    26.7699  -12.8357
            15  C1x C    22.1306  -17.3469
            16  C1x C    23.1912  -13.8441
            17  C1x C    20.9358  -16.6184
            18  C2x C    22.6608  -15.1439
            19  C2y C    21.2621  -15.2546
            20  C1a C    20.3528  -14.1879
BOND        20
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     3   6 1
            6     4   7 2
            7     4   8 1
            8     5   9 1
            9     6  10 2
            10    9  11 2
            11    9  12 1
            12   10  13 1
            13   10  14 1
            14   11  15 1
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   18  19 2

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