LMFA02000374
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    9.0047    9.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0047   10.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0324   10.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4316    9.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0324    8.7458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8318   10.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7908   10.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8318    8.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8688    8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7396   10.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6249   10.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5104   10.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3958   10.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2813   10.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1667   10.6849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2813    9.3560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0858   10.4506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3503    7.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7419    8.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6193    8.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4923    8.9831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7629    9.6073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
  2  6  1  1     0  0
  6  7  2  0     0  0
  1  8  1  6     0  0
  8  9  1  0     0  0
  7 10  1  0     0  0
 11 10  1  0     0  0
 12 11  1  0     0  0
 13 12  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
  3 17  1  6     0  0
  4 17  1  6     0  0
  8 18  1  1     0  0
  9 18  1  6     0  0
  9 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 19 22  1  6     0  0
M  END
> <LM_ID>
LMFA02000374

> <COMMON_NAME>
Cymatherol A

> <SYSTEMATIC_NAME>
7-[(1R,2S,3S,5S)-3-[(1S,2R)-2-[(1R)-1-Hydroxypropyl]cyclopropyl]-6Z-oxabicyclo[3.1.0]hexan-2-yl]hept-6-enoic acid

> <FORMULA>
C18H28O4

> <MASS>
308.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GPMZZMPGGQCIEV-HFOVYDPPSA-N

> <INCHI>
InChI=1S/C18H28O4/c1-2-15(19)14-9-12(14)13-10-16-18(22-16)11(13)7-5-3-4-6-8-17(20)21/h5,7,11-16,18-19H,2-4,6,8-10H2,1H3,(H,20,21)/b7-5-/t11-,12-,13+,14+,15+,16-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101563153

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
309354

> <CITATION>
22071135

$$$$