LMFA13010046
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0     0  0            999 V2000
    3.4750   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3410   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9391   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8051   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5372   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4032   11.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2692   10.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4032   12.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5337    7.7569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931    6.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0719    7.7811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141    9.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3186    9.1405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6802    9.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6732    8.2632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8000    7.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9395    8.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9466    9.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0860    9.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6523    7.1673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1097    5.8914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2388    6.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6091    8.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2609    7.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    8.5032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7168    7.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9427    6.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0074    7.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8406    8.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9052    8.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5372    9.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  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  0     0  0
  9 11  2  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
 18 12  1  6     0  0
 19 13  1  1     0  0
 20 14  1  1     0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  1     0  0
 28 16  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
  8 34  1  1     0  0
 17 34  1  1     0  0
M  END
> <LM_ID>
LMFA13010046

> <COMMON_NAME>
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid

> <SYSTEMATIC_NAME>
2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid

> <FORMULA>
C21H38O13

> <MASS>
498.23

> <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>
MMMJHIANFCEHGC-ZNWZNZTISA-N

> <INCHI>
InChI=1S/C21H38O13/c1-2-3-4-5-6-7-10(19(29)30)32-21-18(28)16(26)14(24)12(34-21)9-31-20-17(27)15(25)13(23)11(8-22)33-20/h10-18,20-28H,2-9H2,1H3,(H,29,30)/t10-,11+,12+,13-,14-,15-,16-,17+,18+,20+,21+/m0/s1

> <SMILES>
CCCCCCC[C@H](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(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936280

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
42458

> <CITATION>
15691016

$$$$