LMFA05000647
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
    5.1349   -1.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2593    1.0950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0009   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8670   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5272    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6612    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3932    1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7330   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5990   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7952    1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4650   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3311   -0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9291    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1971   -0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0631    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  6  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 14  1  0  0  0  0
 12 13  2  0  0  0  0
 13 15  1  0  0  0  0
 14 17  3  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 18 19  3  0  0  0  0
M  END
> <LM_ID>
LMFA05000647

> <COMMON_NAME>
Cicutoxin

> <SYSTEMATIC_NAME>
(8E,10E,12E,14R)-heptadeca-8,10,12-trien-4,6-diyne-1,14-diol

> <FORMULA>
C17H22O2

> <MASS>
258.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FQVNSJQTSOVRKZ-JNRDBWBESA-N

> <INCHI>
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1

> <SMILES>
O[C@@H](/C=C/C=C/C=C/C#CC#CCCCO)CCC

> <KEGG_ID>
C08402

> <HMDB_ID>
-

> <CHEBI_ID>
3695

> <ABBREVIATION>
FOH 17:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25265910

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
48035

> <CITATION>
-

$$$$