LMFA13040038
  LIPID_MAPS_STRUCTURE_DATABASE

 18 18  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
   12.0966   -2.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9614   -3.2453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8273   -2.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9614   -4.2453    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
 14 15  1  0     0  0
 15 16  1  0     0  0
 12  1  1  6     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
M  END
> <LM_ID>
LMFA13040038

> <COMMON_NAME>
ascr#12

> <SYSTEMATIC_NAME>
5R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-hexanoic acid

> <FORMULA>
C12H22O6

> <MASS>
262.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

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

> <INCHI_KEY>
LGGOKKRYYYYXPA-VEOFNUSFSA-N

> <INCHI>
InChI=1S/C12H22O6/c1-7(4-3-5-11(15)16)17-12-10(14)6-9(13)8(2)18-12/h7-10,12-14H,3-6H2,1-2H3,(H,15,16)/t7-,8+,9-,10-,12-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78841

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289663

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
22239548

$$$$