LMFA13040128
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    9.4727   -4.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4228   -6.2493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757   -6.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964   -4.2563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624   -4.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5624   -5.7510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964   -6.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8362   -5.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8362   -4.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9757   -4.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6031   -2.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4793   -3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3430   -2.7105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2066   -3.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0705   -2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769   -7.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1138   -7.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -7.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136  -10.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7489  -10.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9196   -9.3813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523   -8.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2169   -9.0860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470  -10.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544   -7.4755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5991   -8.3035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.9313   -3.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0706   -1.7165    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
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  3 16  1  0     0  0
 16 17  1  0     0  0
 16 18  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 19 24  2  0     0  0
 22 17  1  0     0  0
 17 25  2  0     0  0
 25 26  1  0     0  0
 23 26  1  0     0  0
 12 11  1  0     0  0
 15 27  1  0     0  0
 12  1  1  6     0  0
 15 28  2  0     0  0
M  END
> <LM_ID>
LMFA13040128

> <COMMON_NAME>
icas#9

> <SYSTEMATIC_NAME>
4R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino- hexopyranosyloxy)-pentanoic acid

> <FORMULA>
C20H25NO7

> <MASS>
391.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4R-(3'R-hydroxy-5'R-O-(1H-indol-3-ylcarbonyl)-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-pentanoic acid;indolecarboxylascaroside C5

> <INCHI_KEY>
GIZBXORWWXIWKX-VEZRURDRSA-N

> <INCHI>
InChI=1S/C20H25NO7/c1-11(7-8-18(23)24)26-20-16(22)9-17(12(2)27-20)28-19(25)14-10-21-15-6-4-3-5-13(14)15/h3-6,10-12,16-17,20-22H,7-9H2,1-2H3,(H,23,24)/t11-,12+,16-,17-,20-/m1/s1

> <SMILES>
O([C@H](C)CCC(=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>
79028

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44205814

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
19545143

$$$$