LMSP01080097
  LIPID_MAPS_STRUCTURE_DATABASE

 30 30  0  0  0  0  0  0  0  0999 V2000
    5.9256   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7941   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -5.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5310   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3994   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2679   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1361   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0045   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8730   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7414   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6100   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4783   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3468   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2152   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9969   -5.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9629   -6.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9287   -5.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8947   -6.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9629   -7.3202    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9969   -5.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0572   -6.2640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1887   -5.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0538   -7.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2654   -7.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4688   -7.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1424   -7.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1424   -8.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2836   -7.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3300   -6.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4712   -5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 16 19  1  6  0  0  0
 15 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  2  0  0  0  0
  4 24  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 19 26  1  0  0  0  0
 26 27  2  0     0  0
 26 28  1  0     0  0
 22 29  1  0     0  0
 29 30  1  0     0  0
M  END
> <LM_ID>
LMSP01080097

> <COMMON_NAME>
Calicogorgin C

> <SYSTEMATIC_NAME>
N-[(2S)-1-hydroxy-13-(4-methyl-5-pentylfuran-2-yl)-3-oxotridecan-2-yl]acetamide

> <FORMULA>
C25H43NO4

> <MASS>
421.32

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XUCVFGSDHXEBNT-QHCPKHFHSA-N

> <INCHI>
InChI=1S/C25H43NO4/c1-4-5-12-17-25-20(2)18-22(30-25)15-13-10-8-6-7-9-11-14-16-24(29)23(19-27)26-21(3)28/h18,23,27H,4-17,19H2,1-3H3,(H,26,28)/t23-/m0/s1

> <SMILES>
C(CCCC)C1=C(C)C=C(CCCCCCCCCCC(=O)[C@@H](NC(C)=O)CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11742944

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
58797

> <CITATION>
-

$$$$