KEGG   COMPOUND: C16792
Entry
C16792                      Compound                               
Name
Panaxytriol
Formula
C17H26O3
Exact mass
278.1882
Mol weight
278.3865
Structure
Brite
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Polyynes
    C16792  Panaxytriol
Other DBs
CAS: 87005-03-6
PubChem: 96023316
ChEBI: 80732
KNApSAcK: C00030923
NIKKAJI: J38.610C
LinkDB
KCF data

ATOM        20
            1   C3b C    31.2839  -20.9735
            2   C3b C    29.7637  -20.9735
            3   C3b C    32.7349  -20.9735
            4   C1b C    28.3127  -20.9735
            5   C3b C    34.1859  -20.9735
            6   C1c C    27.1380  -21.6645
            7   C1c C    35.7062  -20.9735
            8   C2b C    36.8117  -21.5954
            9   O1a O    35.7062  -19.5225
            10  C2a C    37.9863  -20.9735
            11  C1c C    25.9412  -20.9735
            12  C1b C    24.7443  -21.6645
            13  C1b C    23.5475  -20.9735
            14  C1b C    22.3508  -21.6645
            15  C1b C    21.1539  -20.9735
            16  C1b C    19.9572  -21.6645
            17  C1b C    18.7604  -20.9735
            18  C1a C    17.5635  -21.6645
            19  O1a O    27.1441  -23.0340
            20  O1a O    25.9419  -19.6039
BOND        19
            1     1   2 3
            2     1   3 1
            3     2   4 1
            4     3   5 3
            5     4   6 1
            6     5   7 1
            7     7   8 1
            8     7   9 1 #Down
            9     8  10 2
            10    6  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18    6  19 1 #Up
            19   11  20 1 #Up

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