LMFA07011647
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0  0  0  0  0  0  0  0999 V2000
   18.2459   -8.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1139   -8.6789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3716   -8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4968   -8.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6221   -8.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7474   -7.6768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8727   -7.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9979   -6.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1232   -6.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2485   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3738   -6.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4990   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6243   -6.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749   -6.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0001   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1254   -6.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507   -6.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749   -5.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9799   -8.1788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8460   -8.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9797   -7.1788    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  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  1  0  0  0  0
 15 19  1  6  0  0  0
  2 20  1  0     0  0
 20 21  1  0     0  0
 20 22  2  0     0  0
M  END
> <LM_ID>
LMFA07011647

> <COMMON_NAME>
SFE 17:5(2Z,4Y,6Y,8E,10E)(14OH[S])/2:0

> <SYSTEMATIC_NAME>
(2Z,8E,10E)-14S-hydroxyheptadecatriene-4,6-diyn-1-yl acetate

> <FORMULA>
C19H24O3

> <MASS>
300.17

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Bupleurotoxin acetate

> <INCHI_KEY>
ZFJUNJXFNHXLTD-PPUDUQJUSA-N

> <INCHI>
InChI=1S/C19H24O3/c1-3-15-19(21)16-13-11-9-7-5-4-6-8-10-12-14-17-22-18(2)20/h5,7,9,11-12,14,19,21H,3,13,15-17H2,1-2H3/b7-5+,11-9+,14-12-/t19-/m0/s1

> <SMILES>
C(/C=C\C#CC#C/C=C/C=C/CC[C@@H](O)CCC)OC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SFE 19:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44613553

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
48104

> <CITATION>
19994846

$$$$