LMFA13040055
  LIPID_MAPS_STRUCTURE_DATABASE

 33 33  0     0  0            999 V2000
    9.3516   -4.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3516   -6.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304   -6.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381   -4.2242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4977   -4.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4977   -5.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6381   -6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844   -5.7076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7844   -4.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9304   -4.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5924   -4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4486   -4.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3045   -4.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1616   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0187   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8760   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7331   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5902   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4474   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3046   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1617   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0188   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8759   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7331   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5902   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4473   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3045   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1617   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0188   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8759   -4.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7330   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5902   -4.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7330   -5.7360    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
 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
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
  1 11  1  0     0  0
 31 33  2  0     0  0
M  END
> <LM_ID>
LMFA13040055

> <COMMON_NAME>
oscr#37

> <SYSTEMATIC_NAME>
21-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-heneicosenoic acid

> <FORMULA>
C27H50O6

> <MASS>
470.36

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-henicosenoic acid

> <INCHI_KEY>
YMUPCHCSOKFFDA-SFLGVXOSSA-N

> <INCHI>
InChI=1S/C27H50O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h18,20,23-25,27-29H,2-17,19,21-22H2,1H3,(H,30,31)/b20-18+/t23-,24+,25+,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
79159

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289797

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
22239548

$$$$