LMFA13040155
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0     0  0            999 V2000
    9.4482   -4.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4482   -6.2659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9916   -6.2660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7170   -4.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   -4.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   -5.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7170   -6.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8543   -5.7665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8543   -4.7674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9916   -4.2678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6370   -2.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5018   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3666   -2.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2313   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0961   -2.7459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9608   -3.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0961   -1.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1743   -7.2788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1601   -9.2804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4224  -10.2645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5707   -7.7610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8683  -10.2370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4424   -7.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3054   -7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2970   -8.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -9.2660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651   -8.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962   -9.2515    0.0000 C   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
 15 17  2  0     0  0
 22 28  1  0     0  0
 27 21  1  0     0  0
 21 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  1     0  0
 23  2  1  1     0  0
 24 18  1  6     0  0
 25 19  1  1     0  0
 26 20  1  6     0  0
M  END
> <LM_ID>
LMFA13040155

> <COMMON_NAME>
ascr#4

> <SYSTEMATIC_NAME>
5R-(3-O-beta-D-glucosyl-3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2-henanone

> <FORMULA>
C18H32O10

> <MASS>
408.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(-)-5R-(3'-O-[beta-D-glucosyl]-3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2-hexanone

> <INCHI_KEY>
HFJWZOCWIUZTNY-WLJKUCSMSA-N

> <INCHI>
InChI=1S/C18H32O10/c1-8(20)4-5-9(2)25-17-12(6-11(21)10(3)26-17)27-18-16(24)15(23)14(22)13(7-19)28-18/h9-19,21-24H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14-,15+,16-,17-,18-/m1/s1

> <SMILES>
O([C@@H](CCC(=O)C)C)[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C[C@@H](O)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78828

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24949895

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
18650807

$$$$