LMFA05000697
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   11.5263    2.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  1  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7 11  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  3  0  0  0  0
 13 15  3  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000697

> <COMMON_NAME>
Safynol

> <SYSTEMATIC_NAME>
(2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

> <FORMULA>
C13H12O2

> <MASS>
200.08

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>
C08458; AC1O5XQ1; (2R,3E,11E)-3,11-Tridecadiene-5,7,9-triyne-1,2-diol; (2R,3E,11E)-trideca-3,11-dien-5,7,9-triyne-1,2-diol

> <INCHI_KEY>
GVCJUCQUVWZELI-DXFRQSKKSA-N

> <INCHI>
InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2+,11-10+/t13-/m1/s1

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

> <KEGG_ID>
C08458

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 13:8;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442707

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
980004

> <CITATION>
8134419

$$$$