KEGG   COMPOUND: C19832Help
Entry
C19832                      Compound                               

Name
Thalianol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Others
    C19832  Thalianol
BRITE hierarchy
Other DBs
PubChem: 135626299
KCF data Show

ATOM        31
            1   C1x C    19.8800  -11.4100
            2   C2y C    19.8800  -12.8100
            3   C2y C    21.0924  -13.5100
            4   C1z C    22.3049  -12.8100
            5   C1x C    22.3049  -11.4100
            6   C1z C    18.6676  -13.5100
            7   C1y C    18.6676  -14.9100
            8   C1x C    19.8800  -15.6100
            9   C1x C    21.0924  -14.9100
            10  C1x C    17.4551  -12.8100
            11  C1x C    16.2427  -13.5100
            12  C1y C    16.2427  -14.9100
            13  C1z C    17.4551  -15.6100
            14  O1a O    15.0282  -15.6112
            15  C1a C    18.6676  -12.1100
            16  C1c C    23.5360  -13.5210
            17  C1b C    24.7412  -12.8253
            18  C1a C    23.5357  -14.9099
            19  C1b C    25.9235  -13.5081
            20  C1a C    23.2948  -11.8201
            21  C2b C    27.1124  -12.8100
            22  C2c C    28.3249  -13.5100
            23  C1b C    29.5373  -12.8100
            24  C1b C    30.7497  -13.5100
            25  C2b C    31.9622  -12.8100
            26  C2c C    33.1746  -13.5100
            27  C1a C    34.3870  -12.8100
            28  C1a C    28.3249  -14.9098
            29  C1a C    33.1746  -14.9100
            30  C1a C    16.7551  -16.9624
            31  C1a C    18.1551  -16.9624
BOND        33
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     2   6 1
            7     6   7 1
            8     7   8 1
            9     8   9 1
            10    3   9 1
            11    6  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    7  13 1
            16   12  14 1 #Up
            17    6  15 1 #Up
            18    4  16 1
            19   16  17 1
            20   16  18 1 #Down
            21   17  19 1
            22    4  20 1 #Up
            23   19  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   22  28 1
            31   26  29 1
            32   13  30 1
            33   13  31 1

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