LMFA02000381
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0     0  0            999 V2000
   -0.4336    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336   -0.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3072    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1812    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0552    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9292    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8032    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6772    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5511    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4251    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2991    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1730    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0471    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9211    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7951    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6690    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5430    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4170    0.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2909    0.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4251   -0.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1730   -0.7492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2907   -1.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2866   -2.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4210   -2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4210   -3.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2866   -4.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1523   -3.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1523   -2.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2866   -5.2472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5554   -4.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5554   -5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2991    1.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2996    0.2511    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
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  6  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 11 21  1  0     0  0
 13 22  1  0     0  0
 21 23  1  0     0  0
 22 23  1  0     0  0
 23 24  1  6     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 24  2  0     0  0
 27 30  1  0     0  0
 26 31  1  0     0  0
 31 32  1  0     0  0
 12 33  1  1     0  0
 11 10  1  6  0  0  0
  2 34  1  0     0  0
M  END
> <LM_ID>
LMFA02000381

> <COMMON_NAME>
Solacetal A

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H40O7

> <MASS>
476.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ALUUTMMYTWUEJL-FYKSXXDPSA-N

> <INCHI>
InChI=1S/C27H40O7/c1-4-5-6-8-11-14-22-26(30)23(15-12-9-7-10-13-16-25(29)32-3)34-27(33-22)20-17-18-21(28)24(19-20)31-2/h5-6,11,14,17-19,22-23,26-28,30H,4,7-10,12-13,15-16H2,1-3H3/b6-5+,14-11-/t22-,23+,26-,27-/m1/s1

> <SMILES>
C(CCCCCCC[C@@H]1O[C@H](C2=CC=C(O)C(OC)=C2)O[C@H](/C=C\C/C=C/CC)[C@H]1O)(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 27:7;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121131

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
230192

> <CITATION>
32199958

$$$$