LMFA05000643
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4307   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4307   -1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2984   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9027   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7708   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6389   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5070   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3751   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2431   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1112   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9793   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8474   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7155   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5835   -1.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4516   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3198   -0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2983   -0.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -0.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  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
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
  3 19  1  1     0  0
  5 20  1  1     0  0
M  END
> <LM_ID>
LMFA05000643

> <COMMON_NAME>
Avocadyne

> <SYSTEMATIC_NAME>
heptadec-16-yne-1,2,4-triol

> <FORMULA>
C17H32O3

> <MASS>
284.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OHLQBKZXSJYBMK-IAGOWNOFSA-N

> <INCHI>
InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h1,16-20H,3-15H2/t16-,17-/m1/s1

> <SMILES>
C([C@H](O)C[C@H](O)CCCCCCCCCCCC#C)O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0035473

> <CHEBI_ID>
168507

> <ABBREVIATION>
FOH 17:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14630627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3435

> <CITATION>
-

$$$$