LMSP01080098
  LIPID_MAPS_STRUCTURE_DATABASE

 14 13  0  0  0  0  0  0  0  0999 V2000
   17.3275   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4596   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5911   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7226   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8542   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9858   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1173   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2491   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3807   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5122   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437   -6.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7753   -7.1508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4596   -8.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5911   -5.6583    0.0000 O   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  2  0  0  0  0
  2 13  1  6  0  0  0
  3 14  1  1  0  0  0
M  END
> <LM_ID>
LMSP01080098

> <COMMON_NAME>
Halaminol B

> <SYSTEMATIC_NAME>
1-deoxy-dodecasphing-11-enine

> <FORMULA>
C12H25NO

> <MASS>
199.19

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DYBRAHBPARLKOA-NWDGAFQWSA-N

> <INCHI>
InChI=1S/C12H25NO/c1-3-4-5-6-7-8-9-10-12(14)11(2)13/h3,11-12,14H,1,4-10,13H2,2H3/t11-,12+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
SPB 12:1

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10013009

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6057

> <CITATION>
11754615

$$$$