LMFA05000728
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2987   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1670   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9036   -1.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7719   -1.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6402   -2.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5085   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3768   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2451   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1134   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9817   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8500   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7183   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5866   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4549   -2.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3232   -2.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7183   -3.7360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  3  0     0  0
  6  7  1  0     0  0
  7  8  3  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  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
 15 19  1  6     0  0
M  END
> <LM_ID>
LMFA05000728

> <COMMON_NAME>
Oenanthotoxin

> <SYSTEMATIC_NAME>
(2E,8E,10E,14R)-heptadeca-2,8,10-trien-4,6-diyne-1,14-diol

> <FORMULA>
C17H22O2

> <MASS>
258.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>
-

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UPXPHJXYZGEBCW-SRFVWEJJSA-N

> <INCHI>
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
144406

> <ABBREVIATION>
FOH 17:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44138996

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
254046

> <CITATION>
19245244

$$$$