LMFA13010044
  LIPID_MAPS_STRUCTURE_DATABASE

 35 36  0     0  0            999 V2000
   13.9159    9.7798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8168    9.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2435    9.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8168    8.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2435    7.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8168    6.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2435    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2908   10.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9591   11.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4568   12.1446    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9591   13.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4568   13.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2003   11.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8873    7.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1538    6.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4256    7.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1536    9.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6627    9.1287    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0232    9.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0232    8.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1536    7.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2897    8.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2897    9.2756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4256    9.7760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6497    7.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6481    7.4169    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6640    9.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1674   10.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6914   10.7086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642    9.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1577    8.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1544    8.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6625    9.1488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1690   10.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6770   10.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
 18 24  1  0     0  0
 23 17  1  0     0  0
 17 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  1     0  0
 20 14  1  6     0  0
 21 15  1  1     0  0
 22 16  1  6     0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 19  1  1  1     0  0
M  END
> <LM_ID>
LMFA13010044

> <COMMON_NAME>
3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate

> <SYSTEMATIC_NAME>
3-O-(beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl) ethyl 3-hydroxyoctanoate

> <FORMULA>
C22H40O13

> <MASS>
512.25

> <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>
QAIPLYVRKVVKMO-LVKFBHBHSA-N

> <INCHI>
InChI=1S/C22H40O13/c1-3-5-6-7-11(8-14(24)31-4-2)33-22-20(30)18(28)16(26)13(35-22)10-32-21-19(29)17(27)15(25)12(9-23)34-21/h11-13,15-23,25-30H,3-10H2,1-2H3/t11?,12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25087719

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
126903

> <CITATION>
15691016

$$$$