LMFA05000745
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   -0.4507   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3304   -1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9700   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8499   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7298   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4894   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3693   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2492   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1290   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0089   -1.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8888   -1.2603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7685   -0.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6484   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5283   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4082   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2880   -0.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1679   -0.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -2.7655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -18.0332   -0.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2880   -1.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  3  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0     0  0
 20 22  2  0     0  0
 19 23  1  0     0  0
M  END
> <LM_ID>
LMFA05000745

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Henicosa-4E,10Z,12Z,20-tetraen-1,14-diyn-3,19-diol

> <FORMULA>
C21H28O2

> <MASS>
312.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JIOJLMXUZYCHNN-JITREFGVSA-N

> <INCHI>
InChI=1S/C21H28O2/c1-3-20(22)18-16-14-12-10-8-6-5-7-9-11-13-15-17-19-21(23)4-2/h1,4-7,9,16,18,20-23H,2,8,10,12,14-15,17,19H2/b6-5-,9-7-,18-16+

> <SMILES>
C#CC(O)/C=C/CCCC/C=C\C=C/C#CCCCC(O)C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 21:8;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21777852

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2634400

> <CITATION>
15588026

$$$$