LMFA13040068
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
    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
   10.6510   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5081   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3652   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2224   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0796   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9367   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7938   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6509   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5081   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3652   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2223   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0795   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9367   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7938   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6509   -4.7913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5080   -4.2964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3741   -4.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2401   -4.2963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5706   -4.2163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.3741   -5.7963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  3  1  0     0  0
  3  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  6     0  0
  5  1  1  6     0  0
  7  2  1  1     0  0
 10 11  1  0     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  2  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
  4 28  1  1     0  0
 26 29  2  0     0  0
 10 28  1  0     0  0
M  END
> <LM_ID>
LMFA13040068

> <COMMON_NAME>
oscr#29

> <SYSTEMATIC_NAME>
17-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-heptadecenoic acid

> <FORMULA>
C23H42O6

> <MASS>
414.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
17-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-heptadecenoic acid

> <INCHI_KEY>
HJPCXYKWUOGDSW-KRSIWRBNSA-N

> <INCHI>
InChI=1S/C23H42O6/c1-19-20(24)18-21(25)23(29-19)28-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-22(26)27/h14,16,19-21,23-25H,2-13,15,17-18H2,1H3,(H,26,27)/b16-14+/t19-,20+,21+,23+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
79151

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289789

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
22239548

$$$$