KEGG   COMPOUND: C22838
Entry
C22838                      Compound                               
Name
Colleterpenol;
(2S)-2-[(1R,3E,7E,11E)-4,8,12-Trimethylcyclotetradeca-3,7,11-trien-1-yl]undeca-5,9-dien-2-ol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.72
Structure
Reaction
R13228
Enzyme
4.2.3.213
Other DBs
PubChem: 497620191
LinkDB
KCF data

ATOM        31
            1   C2x C    10.2200  -16.7300
            2   C2y C    10.2200  -18.1300
            3   C1x C    11.4324  -18.8300
            4   C1x C    12.6449  -18.1300
            5   C2x C    12.6449  -16.7300
            6   C2y C    10.2200  -13.9300
            7   C1x C     9.0076  -14.6300
            8   C1x C     9.0076  -16.0300
            9   C2y C    13.8573  -16.0300
            10  C1x C    13.8573  -14.6300
            11  C1x C    12.6449  -13.9300
            12  C1y C    12.6449  -12.5300
            13  C1x C    11.4324  -11.8300
            14  C2x C    10.2200  -12.5300
            15  C1a C    11.4899  -14.7099
            16  C1a C     9.0076  -18.8300
            17  C1a C    15.0718  -16.7312
            18  C1d C    13.8824  -11.8300
            19  C1b C    15.0949  -12.5300
            20  C1b C    16.3073  -11.8300
            21  C2b C    17.5197  -12.5300
            22  C2c C    18.7322  -11.8300
            23  C1b C    19.9446  -12.5300
            24  C1b C    21.1570  -11.8300
            25  O1a O    12.8225  -10.5601
            26  C1a C    14.7224  -10.6176
            27  C1a C    18.7322  -10.4303
            28  C2b C    22.3566  -12.5227
            29  C2c C    23.5459  -11.8360
            30  C1a C    24.7362  -12.5234
            31  C1a C    23.5460  -10.4302
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     6   7 1
            6     7   8 1
            7     1   8 1
            8     5   9 2
            9     9  10 1
            10   10  11 1
            11   12  11 1 #Down
            12   12  13 1
            13   13  14 1
            14    6  14 2
            15    6  15 1
            16    2  16 1
            17    9  17 1
            18   12  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 1
            25   18  25 1 #Up
            26   18  26 1
            27   22  27 1
            28   24  28 1
            29   28  29 2
            30   29  30 1
            31   29  31 1

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