LMFA13040003
  LIPID_MAPS_STRUCTURE_DATABASE

 17 17  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   -6.2658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9915   -6.2659    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   -5.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7170   -6.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8543   -5.7664    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
    5.9915   -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
  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
M  END
> <LM_ID>
LMFA13040003

> <COMMON_NAME>
Daumone-2

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

> <FORMULA>
C12H22O5

> <MASS>
246.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
ascaroside C6; ascr#2; (-)-5R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2???-yloxy)-2-hexanone

> <INCHI_KEY>
KDIFLHQRDPSWHT-IYKVGLELSA-N

> <INCHI>
InChI=1S/C12H22O5/c1-7(13)4-5-8(2)16-12-11(15)6-10(14)9(3)17-12/h8-12,14-15H,4-6H2,1-3H3/t8-,9+,10-,11-,12-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78812

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16066475

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
15690045

$$$$