LMFA05000747
  LIPID_MAPS_STRUCTURE_DATABASE

 19 18  0     0  0            999 V2000
   16.5387   -3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4067   -3.6744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6644   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7896   -3.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9149   -3.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0402   -4.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1654   -4.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2907   -5.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4160   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5412   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6665   -5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7918   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9171   -5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0423   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1676   -5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2929   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4181   -5.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434   -5.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1676   -4.1779    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  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  2  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  1     0  0
M  END
> <LM_ID>
LMFA05000747

> <COMMON_NAME>
Isocicutoxin

> <SYSTEMATIC_NAME>
(8E,10E,12E,14R)-heptadeca-8,10,12-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>
FQVNSJQTSOVRKZ-AHBIEKGCSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FOH 17:7;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92034568

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
48035

> <CITATION>
-

$$$$