LMFA13040142
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
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    9.4788   -6.2864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7421   -4.2816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6133   -4.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6133   -5.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7421   -6.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8768   -5.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0112   -4.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0124   -7.2897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1442   -7.7923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1829   -8.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1791   -7.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6205   -8.3528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271   -4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2931   -4.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1592   -4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0252   -4.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.4893   -4.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3553   -4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2213   -4.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0874   -4.8566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0874   -5.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9534   -4.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3553   -5.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  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  6     0  0
  5  1  1  1     0  0
  6  2  1  6     0  0
  8  3  1  1     0  0
  3 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
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 18 19  1  0     0  0
 14 19  2  0     0  0
 17 12  1  0     0  0
 12 20  2  0     0  0
 20 21  1  0     0  0
 18 21  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
  1 22  1  0     0  0
 27 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  2  0     0  0
 32 34  1  0     0  0
 30 35  1  6     0  0
M  END
> <LM_ID>
LMFA13040142

> <COMMON_NAME>
ibho#18

> <SYSTEMATIC_NAME>
3R-hydroxy-11-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-undecanoic acid

> <FORMULA>
C26H37NO8

> <MASS>
491.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3R-hydroxy-11-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-undecanoic acid

> <INCHI_KEY>
KNUQGRSJUADXIR-SIHSWOPCSA-N

> <INCHI>
InChI=1S/C26H37NO8/c1-17-23(35-25(32)20-16-27-21-12-8-7-11-19(20)21)15-22(29)26(34-17)33-13-9-5-3-2-4-6-10-18(28)14-24(30)31/h7-8,11-12,16-18,22-23,26-29H,2-6,9-10,13-15H2,1H3,(H,30,31)/t17-,18+,22+,23+,26+/m0/s1

> <SMILES>
O(CCCCCCCC[C@@H](O)CC(O)=O)[C@H]1[C@H](O)C[C@@H](OC(=O)C2=CNC3C=CC=CC=32)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
79372

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289898

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
22239548

$$$$