LMFA01031208
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   -0.4337   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4337   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4337    0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3076   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1819   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9305   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6790   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5533   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4275   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3018   -0.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1761   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0504   -1.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9246   -1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7989   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6732   -2.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5474   -3.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4217   -3.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2960   -4.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8047   -1.7530    0.0000 O   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  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  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
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
  8 21  1  6  0  0  0
M  END
> <LM_ID>
LMFA01031208

> <COMMON_NAME>
Caryoynencin C

> <SYSTEMATIC_NAME>
6S-Hydroxyoctadeca-7E,9Z-dien-11,13,15,17-tetraynoic acid

> <FORMULA>
C18H16O3

> <MASS>
280.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GOOGOKNSXZDSND-AIGQMXEJSA-N

> <INCHI>
InChI=1S/C18H16O3/c1-2-3-4-5-6-7-8-9-10-11-14-17(19)15-12-13-16-18(20)21/h1,9-11,14,17,19H,12-13,15-16H2,(H,20,21)/b10-9-,14-11+/t17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:10;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119459

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28094

> <CITATION>
24898429

$$$$