LMFA05000761
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2991   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0361   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046   -1.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7732   -1.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6417   -2.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5102   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788   -2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1157   -2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9842   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8528   -2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7213   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5898   -2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4584   -2.7367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3269   -2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676    0.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3788   -1.2440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2473   -3.7319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  3  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
  3 18  2  0  0  0  0
  9 19  1  6  0  0  0
 10 20  1  6  0  0  0
M  END
> <LM_ID>
LMFA05000761

> <COMMON_NAME>
Panaxacol

> <SYSTEMATIC_NAME>
(9R,10R)-9,10-dihydroxyheptadeca-4,6-diyn-3-one

> <FORMULA>
C17H26O3

> <MASS>
278.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty alcohols [FA05]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VNLATJUGAZKQEH-IAGOWNOFSA-N

> <INCHI>
InChI=1S/C17H26O3/c1-3-5-6-7-10-13-16(19)17(20)14-11-8-9-12-15(18)4-2/h16-17,19-20H,3-7,10,13-14H2,1-2H3/t16-,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
174659

> <ABBREVIATION>
FOH 17:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129429

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Oxygenated hydrocarbons [FA12]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4045

> <CITATION>
22382419

$$$$