KEGG   COMPOUND: C19994
Entry
C19994                      Compound                               
Name
Virol B;
(8S,9Z)-9-Heptadecene-4,6-diyne-1,8-diol
Formula
C17H26O2
Exact mass
262.1933
Mol weight
262.39
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA05 Fatty alcohols
   C19994  Virol B
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Polyynes
    C19994  Virol B
Natural toxins [BR:br08009]
 Phytotoxins
  Others
   Polyynes
    C19994  Virol B
Other DBs
PubChem: 135626460
ChEBI: 138869
LIPIDMAPS: LMFA05000750
LinkDB
KCF data

ATOM        19
            1   C1b C    18.2782  -17.3065
            2   C1b C    19.4692  -18.0071
            3   C1b C    20.7302  -17.3065
            4   C1b C    21.9212  -18.0071
            5   C1b C    23.1121  -17.3065
            6   C2b C    24.3732  -18.0071
            7   C2b C    25.7743  -18.0071
            8   C1c C    26.9877  -17.3065
            9   C3b C    28.2012  -18.0071
            10  O1a O    26.9877  -15.9056
            11  C3b C    29.4146  -18.7077
            12  C3b C    30.6280  -19.4082
            13  C3b C    31.8415  -20.1088
            14  C1b C    33.0548  -20.8094
            15  C1b C    34.2723  -20.1065
            16  C1b C    35.4708  -20.7986
            17  O1a O    36.6581  -20.1131
            18  C1b C    17.0611  -17.9961
            19  C1a C    15.8659  -17.2929
BOND        18
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 2
            7     7   8 1
            8     8   9 1
            9     8  10 1 #Down
            10    9  11 3
            11   11  12 1
            12   12  13 3
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17    1  18 1
            18   18  19 1

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