LMFA13040047
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    9.4485   -4.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4485   -6.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919   -6.2663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173   -4.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5858   -4.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5858   -5.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7173   -6.2663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547   -5.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547   -4.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9919   -4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6374   -2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5021   -3.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671   -2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2319   -3.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0979   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9639   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8300   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6960   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5620   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4280   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2941   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1601   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0261   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8921   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7582   -2.7452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6242   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4902   -2.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8921   -4.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6242   -4.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  6     0  0
  5  1  1  1     0  0
  6  2  1  6     0  0
  8  3  1  1     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 12  1  1  6     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 24 28  1  6     0  0
 26 29  2  0     0  0
M  END
> <LM_ID>
LMFA13040047

> <COMMON_NAME>
bhas#28

> <SYSTEMATIC_NAME>
3R-hydroxy-15R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-hexadecanoic acid

> <FORMULA>
C22H42O7

> <MASS>
418.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3R-hydroxy-15R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-hexadecanoic acid

> <INCHI_KEY>
QQIOQZRDFXAPQI-IGKFWFGWSA-N

> <INCHI>
InChI=1S/C22H42O7/c1-16(28-22-20(25)15-19(24)17(2)29-22)12-10-8-6-4-3-5-7-9-11-13-18(23)14-21(26)27/h16-20,22-25H,3-15H2,1-2H3,(H,26,27)/t16-,17+,18-,19-,20-,22-/m1/s1

> <SMILES>
O([C@@H](CCCCCCCCCCC[C@@H](O)CC(=O)O)C)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
79234

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289823

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
19174521

$$$$