LMFA05000714
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
    4.4981   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2301   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0962   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8282   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6942   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5603   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4263   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2923   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1583   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0244   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8904   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7565   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6225   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4886   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3546   -5.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2206   -4.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0866   -5.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2206   -3.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6321   -5.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6225   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8904   -6.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
  1 21  3  0     0  0
 15 22  1  0     0  0
 13 23  1  0     0  0
M  END
> <LM_ID>
LMFA05000714

> <COMMON_NAME>
avocadenyne acetate

> <SYSTEMATIC_NAME>
2,4-dihydroxy-12E-heptadecen-16-yn-1-yl-acetate

> <FORMULA>
C19H32O4

> <MASS>
324.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1-acetoxy-2,4-dihydroxy-heptadec-12-en-16-yne

> <INCHI_KEY>
HTJYIZVFYOMKBE-VOTSOKGWSA-N

> <INCHI>
InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,6-7,18-19,21-22H,4-5,8-16H2,2H3/b7-6+

> <SMILES>
C(#C)CC/C=C/CCCCCCCC(O)CC(O)COC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 19:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134594542

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3435

> <CITATION>
-

$$$$