LMFA07011684
  LIPID_MAPS_STRUCTURE_DATABASE

 34 34  0  0  0  0  0  0  0  0999 V2000
   18.6335   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4953   -9.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7654   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8969   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0284   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1599   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2914   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8174   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9489   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2119   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3434   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4749   -9.1772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6064   -9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   21.2486  -10.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2484  -12.6799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5168  -13.6796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6514  -11.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.5154  -12.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6498  -12.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0309   -7.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1648   -8.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2988   -7.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4328   -8.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0309   -6.6820    0.0000 O   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
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 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
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 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  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 30 34  2  0     0  0
M  END
> <LM_ID>
LMFA07011684

> <COMMON_NAME>
Trollioester C

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

> <FORMULA>
C27H52O7

> <MASS>
488.37

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Wax monoesters [FA0701]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YESLELUILDKAQE-ZCKMJCLDSA-N

> <INCHI>
InChI=1S/C27H52O7/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-22(34-24(29)17-4-2)19-20-32-27-26(31)25(30)23(28)21-33-27/h22-23,25-28,30-31H,3-21H2,1-2H3/t22-,23+,25-,26+,27+/m0/s1

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

$$$$