LMFA05000645
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0            999 V2000
   -0.8246   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246    0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270    0.6596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -0.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9695   -0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9695   -1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2270   -1.8146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4846   -1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821   -1.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -1.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -1.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196   -0.5771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6596   -0.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7421    0.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4846    1.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5671    1.8971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1445   -0.2479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695   -0.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695   -1.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1646    1.3196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    0.5771    0.0000 C   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  1  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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000645

> <COMMON_NAME>
Avocadyne 4-acetate

> <SYSTEMATIC_NAME>
1,2-dihydroxyheptadec-16-yn-4-yl acetate

> <FORMULA>
C19H34O4

> <MASS>
326.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FHGZOCAZNHYWAL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(23-17(2)21)15-18(22)16-20/h1,18-20,22H,4-16H2,2H3

> <SMILES>
C#CCCCCCCCCCCCC(OC(C)=O)CC(O)CO

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031049

> <CHEBI_ID>
171809

> <ABBREVIATION>
FOH 19:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45782986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$