LMFA05000639
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   13.2405   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1021   -5.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3726   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5043   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7676   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8993   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0310   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1627   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2944   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4261   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5578   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6895   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8211   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9528   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0845   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162   -5.6711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6521   -5.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3727   -6.6711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -6.6711    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  2  0  0  0  0
  3 19  1  6     0  0
  5 20  1  6     0  0
M  END
> <LM_ID>
LMFA05000639

> <COMMON_NAME>
Avocadene

> <SYSTEMATIC_NAME>
heptadec-16-ene-1,2R,4R-triol

> <FORMULA>
C17H34O3

> <MASS>
286.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DFEHQWFIOMAGBM-IAGOWNOFSA-N

> <INCHI>
InChI=1S/C17H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)14-17(20)15-18/h2,16-20H,1,3-15H2/t16-,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031042

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 17:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21635755

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3435

> <CITATION>
-

$$$$