LMSP01080095
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0  0  0  0  0  0  0  0999 V2000
   19.2204   -6.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3340   -7.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4472   -6.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5604   -7.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6736   -6.6616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7868   -7.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3340   -8.1856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.4472   -5.6455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9224   -6.6667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0547   -7.1638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1904   -6.6609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3227   -7.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4584   -6.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5906   -7.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7263   -6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586   -7.1462    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  2  0  0  0  0
  5  6  1  0  0  0  0
  2  7  1  6  0  0  0
  3  8  1  1  0  0  0
  6  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     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
M  END
> <LM_ID>
LMSP01080095

> <COMMON_NAME>
Crucigasterin 225

> <SYSTEMATIC_NAME>
1-deoxy-tetradecasphinga-4E,13-dienine

> <FORMULA>
C14H27NO

> <MASS>
225.21

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AKXWKMQPINMKAE-CYUAOAIUSA-N

> <INCHI>
InChI=1S/C14H27NO/c1-3-4-5-6-7-8-9-10-11-12-14(16)13(2)15/h3,11-14,16H,1,4-10,15H2,2H3/b12-11+/t13-,14+/m0/s1

> <SMILES>
C[C@H](N)[C@H](O)/C=C/CCCCCCCC=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
282281

> <CITATION>
-

$$$$