KEGG   COMPOUND: C01414
Entry
C01414                      Compound                               
Name
Casbene
Formula
C20H32
Exact mass
272.2504
Mol weight
272.4681
Structure
Reaction
Pathway
map00904  Diterpenoid biosynthesis
map01062  Biosynthesis of terpenoids and steroids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0104 C20 isoprenoids (diterpenes)
    PR010429 Casbane diterpenoids
     C01414  Casbene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Diterpenoids (C20)
   Cembrenes
    C01414  Casbene
Other DBs
CAS: 24286-51-9
PubChem: 4602
ChEBI: 17695
LIPIDMAPS: LMPR0104290001
KNApSAcK: C00000864
3DMET: B04795
NIKKAJI: J244.553K
LinkDB
KCF data

ATOM        20
            1   C1x C    18.0622  -20.5698
            2   C2y C    16.8651  -19.8751
            3   C2x C    16.8651  -18.5103
            4   C2x C    19.2777  -18.4749
            5   C1x C    19.2777  -19.8996
            6   C1x C    19.2882  -15.7453
            7   C1x C    20.4667  -16.4398
            8   C2y C    20.4667  -17.8047
            9   C2y C    16.8756  -15.7208
            10  C2x C    16.8756  -14.3560
            11  C1y C    18.0912  -13.6259
            12  C1y C    19.2882  -14.3205
            13  C1x C    15.6599  -17.8157
            14  C1x C    15.6599  -16.3909
            15  C1a C    15.6761  -20.5453
            16  C1a C    21.6638  -18.4992
            17  C1a C    18.0726  -16.4154
            18  C1z C    19.2882  -12.9557
            19  C1a C    20.6683  -12.5505
            20  C1a C    18.7982  -11.3921
BOND        21
            1     1   2 1
            2     2   3 2
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     7   8 1
            7     4   8 2
            8     9  10 2
            9    10  11 1
            10   11  12 1
            11    6  12 1
            12    3  13 1
            13   13  14 1
            14    9  14 1
            15    2  15 1
            16    8  16 1
            17    9  17 1
            18   12  18 1
            19   11  18 1
            20   18  19 1
            21   18  20 1

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