LMFA13040154
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0     0  0            999 V2000
    9.4490   -4.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4490   -6.2664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9921   -6.2665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177   -4.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5862   -4.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5862   -5.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7177   -6.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550   -5.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8550   -4.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9921   -4.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6378   -2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5026   -3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3676   -2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2326   -3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0974   -2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9622   -3.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8271   -2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6930   -3.2462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8272   -1.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6930   -4.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5590   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5590   -5.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6930   -6.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270   -5.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270   -4.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6930   -7.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8270   -7.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5591   -7.7462    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
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 12  1  1  6     0  0
 17 18  1  0     0  0
 17 19  2  0     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 20  2  0     0  0
 23 26  1  0     0  0
 26 27  1  0     0  0
 26 28  2  0     0  0
M  END
> <LM_ID>
LMFA13040154

> <COMMON_NAME>
ascr#8

> <SYSTEMATIC_NAME>
N-(6R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-heptenoyl)-4-aminobenzoic acid

> <FORMULA>
C20H27NO7

> <MASS>
393.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty acyl glycosides [FA13]

> <SUB_CLASS>
Ascarosides [FA1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
N-(6'R-[3''R,5''R-dihydroxy-6''S-methyl-(2H)-tetrahydropyran-2'-yloxy]-2'E-heptenoyl)-4-aminobenzoic acid

> <INCHI_KEY>
WMKIQPAVTRWYKZ-XPUFHXNMSA-N

> <INCHI>
InChI=1S/C20H27NO7/c1-12(27-20-17(23)11-16(22)13(2)28-20)5-3-4-6-18(24)21-15-9-7-14(8-10-15)19(25)26/h4,6-10,12-13,16-17,20,22-23H,3,5,11H2,1-2H3,(H,21,24)(H,25,26)/b6-4+/t12-,13+,16-,17-,20-/m1/s1

> <SMILES>
O([C@@H](CC/C=C/C(=O)NC1=CC=C(C(=O)O)C=C1)C)[C@H]1[C@H](O)C[C@@H](O)[C@H](C)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
78834

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
86289660

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6239

> <CITATION>
19346493

$$$$