LMFA07011685
  LIPID_MAPS_STRUCTURE_DATABASE

 32 32  0  0  0  0  0  0  0  0999 V2000
   17.7550   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6166   -6.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8872   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0189   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1507   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2825   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4142   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5460   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6778   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8095   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9413   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0731   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2048   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3366   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6001   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7319   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8636   -5.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9953   -6.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0189   -4.9268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3693   -7.4240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3691   -9.4233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6381  -10.4227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7729   -7.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6370   -7.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5023   -7.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5036   -8.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6367   -9.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7713   -8.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1532   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1532   -3.4273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2872   -4.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  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
  7  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
  4 20  1  6  0  0  0
 24 29  1  0     0  0
 29 28  1  0     0  0
 28 27  1  0     0  0
 27 26  1  0     0  0
 26 25  1  0     0  0
 25 24  1  0     0  0
 26 21  1  6     0  0
 27 22  1  1     0  0
 28 23  1  6     0  0
 25  2  1  1     0  0
 20 30  1  0     0  0
 30 31  2  0     0  0
 30 32  1  0     0  0
M  END
> <LM_ID>
LMFA07011685

> <COMMON_NAME>
Trollioester D

> <SYSTEMATIC_NAME>
3S-acetoxy-1-O-beta-D-xylopyranosyloctadecan-3-ol

> <FORMULA>
C25H48O7

> <MASS>
460.34

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YAJCKVRMPCEYFE-HNRDJRCMSA-N

> <INCHI>
InChI=1S/C25H48O7/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(32-20(2)26)17-18-30-25-24(29)23(28)22(27)19-31-25/h21-25,27-29H,3-19H2,1-2H3/t21-,22+,23-,24+,25+/m0/s1

> <SMILES>
C(C[C@@H](OC(C)=O)CCCCCCCCCCCCCCC)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
78479

> <CITATION>
42960691

$$$$