LMFA01031364
  LIPID_MAPS_STRUCTURE_DATABASE

 18 17  0     0  0            999 V2000
   -0.4309   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4309   -0.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4309    0.7464    0.0000 O   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
   -2.1677   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0363   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9048   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7734   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6420   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5106   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3791   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2477   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1163   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9849    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8534    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7220    1.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5906    1.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4591    2.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  3  0  0  0  0
 16 17  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
> <LM_ID>
LMFA01031364

> <COMMON_NAME>
Massilin C

> <SYSTEMATIC_NAME>
9E-hexadecen-11,13,15-triynoic acid

> <FORMULA>
C16H18O2

> <MASS>
242.13

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
TVNGNHOOTQXKEL-BQYQJAHWSA-N

> <INCHI>
InChI=1S/C16H18O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h1,7-8H,9-15H2,(H,17,18)/b8-7+

> <SMILES>
C(CCCCCCC/C=C/C#CC#CC#C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 16:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1593482

> <CITATION>
35551233

$$$$