LMFA13040005
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0     0  0            999 V2000
    9.4591   -4.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4591   -6.2731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984   -6.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7260   -4.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5954   -4.7726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5954   -5.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7260   -6.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8623   -5.7731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8623   -4.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9984   -4.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3259   -4.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1928   -4.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596   -4.7730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9265   -4.2726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0596   -5.7739    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
  1 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
M  END
> <LM_ID>
LMFA13040005

> <COMMON_NAME>
Ascaroside C3

> <SYSTEMATIC_NAME>
3-(3,6-dideoxy-alpha-L-arabinosyloxy)-propanoic acid

> <FORMULA>
C9H16O6

> <MASS>
220.09

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
ascr#5

> <INCHI_KEY>
RYYMJVGKZLQYPG-YYWONIAYSA-N

> <INCHI>
InChI=1S/C9H16O6/c1-5-6(10)4-7(11)9(15-5)14-3-2-8(12)13/h5-7,9-11H,2-4H2,1H3,(H,12,13)/t5-,6+,7+,9+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78829

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44202063

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
18791072

$$$$