KEGG   COMPOUND: C20432
Entry
C20432                      Compound                               
Name
C30 Botryococcene
Formula
C30H50
Exact mass
410.3913
Mol weight
410.718
Structure
Reaction
R10194 R10195 R10197 R10199
Enzyme
1.3.1.97        2.1.1.263
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010603 Botryococcene triterpenoids
     C20432  C30 Botryococcene
Other DBs
PubChem: 163312169
KCF data

ATOM        30
            1   C2c C     8.2026  -16.5466
            2   C2b C     9.4164  -15.8458
            3   C1b C    10.6302  -16.5466
            4   C1b C    11.8440  -15.8458
            5   C2c C    13.0577  -16.5466
            6   C2b C    14.2716  -15.8458
            7   C1a C     6.9889  -15.8458
            8   C1a C     8.2026  -17.9481
            9   C1a C    13.0577  -17.9480
            10  C1b C    15.6030  -16.5466
            11  C1b C    16.8167  -15.8458
            12  C1d C    18.0306  -16.5466
            13  C2b C    19.2443  -15.8458
            14  C2b C    20.4581  -16.5466
            15  C1c C    21.6720  -15.8458
            16  C1b C    22.8857  -16.5466
            17  C1b C    24.0995  -15.8458
            18  C2b C    25.3133  -16.5466
            19  C2c C    26.5271  -15.8458
            20  C1b C    27.7408  -16.5466
            21  C1b C    28.9547  -15.8458
            22  C2b C    30.1685  -16.5466
            23  C2c C    31.3605  -15.8581
            24  C1a C    32.5470  -16.5429
            25  C1a C    31.3606  -14.4445
            26  C1a C    21.6720  -14.4442
            27  C1a C    26.5271  -14.4446
            28  C1a C    19.0205  -17.5365
            29  C2b C    17.0406  -17.5365
            30  C2a C    17.4030  -18.8888
BOND        29
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   7 1
            7     1   8 1
            8     5   9 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 1
            20   21  22 1
            21   22  23 2
            22   23  24 1
            23   23  25 1
            24   15  26 1 #Down
            25   19  27 1
            26   12  28 1
            27   12  29 1
            28   29  30 2
            29    6  10 1

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Chemical substance (1)   
   PubChem (1)   
Chemical reaction (6)   
   KEGG ENZYME (2)   
   KEGG REACTION (4)   
All databases (7)   

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