LMFA13040125
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.4845   -4.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4345   -6.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831   -6.2571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059   -4.2616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730   -4.7603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5730   -5.7582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7059   -6.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8447   -5.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8447   -4.7605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831   -4.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6262   -2.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4909   -3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3556   -2.7386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2328   -3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0976   -2.7387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9623   -3.2380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8272   -2.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9843   -7.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1202   -7.7559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496   -7.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8196  -10.7212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7561  -10.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270   -9.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1587   -8.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2221   -9.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520  -10.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596   -7.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036   -8.3138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6890   -3.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5511   -2.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4130   -3.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5512   -1.7437    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
 11 12  1  0     0  0
 12 13  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
  3 18  1  0     0  0
 18 19  1  0     0  0
 18 20  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 21 26  2  0     0  0
 24 19  1  0     0  0
 19 27  2  0     0  0
 27 28  1  0     0  0
 25 28  1  0     0  0
 12  1  1  6     0  0
 14 13  1  0     0  0
 17 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  2  0     0  0
M  END
> <LM_ID>
LMFA13040125

> <COMMON_NAME>
icas#10

> <SYSTEMATIC_NAME>
8R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-nonanoic acid

> <FORMULA>
C24H33NO7

> <MASS>
447.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)- tetrahydropyran-2'-yloxy)-nonanoic acid

> <INCHI_KEY>
VGNCAEIQHDZOLI-JTCUFRKPSA-N

> <INCHI>
InChI=1S/C24H33NO7/c1-15(9-5-3-4-6-12-22(27)28)30-24-20(26)13-21(16(2)31-24)32-23(29)18-14-25-19-11-8-7-10-17(18)19/h7-8,10-11,14-16,20-21,24-26H,3-6,9,12-13H2,1-2H3,(H,27,28)/t15-,16+,20-,21-,24-/m1/s1

> <SMILES>
O([C@@H](CCCCCCC(=O)O)C)[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>
79029

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289731

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
22239548

$$$$