LMFA13010043
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   11.3313    7.5291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1956    9.2046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1956    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9903    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3745    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7850    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7850    9.2046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5797    7.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1693    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9640    8.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7588    7.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3183    5.8030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3167    5.8172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3326    7.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8360    8.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3600    9.1090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3327    7.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8263    6.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8230    6.6803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3311    7.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8375    8.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3455    9.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  5  1  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 16 22  1  0     0  0
 21 15  1  0     0  0
 15 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  1     0  0
 17  1  1  1     0  0
 18 12  1  6     0  0
 19 13  1  1     0  0
 20 14  1  6     0  0
M  END
> <LM_ID>
LMFA13010043

> <COMMON_NAME>
Butyl 3-O-beta-D-glucopyranosyl-butanoate

> <SYSTEMATIC_NAME>
Butyl 3-O-beta-D-glucopyranosyl-butanoate

> <FORMULA>
C14H26O8

> <MASS>
322.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Fatty acyl glycosides of mono- and disaccharides [FA1301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YUPCLHHTUNDMAN-IVZJBRGWSA-N

> <INCHI>
InChI=1S/C14H26O8/c1-3-4-5-20-10(16)6-8(2)21-14-13(19)12(18)11(17)9(7-15)22-14/h8-9,11-15,17-19H,3-7H2,1-2H3/t8?,9-,11-,12+,13-,14-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C(CC(=O)OCCCC)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936277

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
35926

> <CITATION>
15691016

$$$$