LMFA05000641
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0  0  0  0            999 V2000
   -0.3599   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3599    0.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032    0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252   -1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -2.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0819   -1.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3599   -2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3606   -1.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819   -2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232   -1.6832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7232   -0.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0819   -0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    0.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6013    1.0419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1200    1.4426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213    1.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    1.6032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5252   -0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2806    2.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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 22  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA05000641

> <COMMON_NAME>
Avocadene 2-acetate

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

> <FORMULA>
C19H36O4

> <MASS>
328.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LUIGTZGBXWZJAX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H36O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(22)15-19(16-20)23-17(2)21/h3,18-20,22H,1,4-16H2,2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0031044

> <CHEBI_ID>
168877

> <ABBREVIATION>
FOH 19:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
45360032

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$