LMFA02000386
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
   -0.4341   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341   -0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4341    0.7519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1838   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0588   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9338   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8088   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6838   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5588   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4338   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3089   -0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1838   -0.7519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1588   -0.4942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1276   -1.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0677   -2.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7050   -1.3418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2893   -2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4024   -1.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5642   -2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3381   -3.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1659   -0.4451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2144   -2.7522    0.0000 H   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
 13 14  1  0  0  0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 14  1  0     0  0
 13 12  1  1  0  0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 18 21  1  6     0  0
 14 22  1  6     0  0
 17 22  1  6     0  0
 15 23  1  1     0  0
M  END
> <LM_ID>
LMFA02000386

> <COMMON_NAME>
Plasmodiophorol A

> <SYSTEMATIC_NAME>
10-[(1R,2S,3S,5S)-3-(1-hydroxypropyl)-6-oxabicyclo[3.1.0]hex-2-yl]dec-9Z-enoic acid

> <FORMULA>
C18H30O4

> <MASS>
310.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UMHMXTXOIVYKOO-RLHIQTTISA-N

> <INCHI>
InChI=1S/C18H30O4/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h8,10,13-16,18-19H,2-7,9,11-12H2,1H3,(H,20,21)/b10-8-/t13-,14+,15-,16-,18+/m0/s1

> <SMILES>
C(CCCCCCC/C=C\[C@H]1[C@]([H])([C@@H](O)CC)C[C@@H]2O[C@H]12)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168007595

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37360

> <CITATION>
34450267

$$$$