LMSP01080053
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0  0  0  0  0  0  0  0999 V2000
   10.6066    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6066    8.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3539    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1013    8.2303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1013    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3539    9.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    7.7988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5960    8.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5960    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    9.5247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8486    7.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3773    7.7792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8512    6.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0963    7.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5771    6.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8223    6.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3030    6.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5482    6.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289    5.6556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2741    5.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7548    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1013    9.7934    0.0000 H   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  1  1  0  0  0  0
  4  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  5  1  0  0  0  0
  7 11  1  6  0  0  0
  8 12  1  1  0  0  0
  3 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  5 23  1  6  0  0  0
M  END
> <LM_ID>
LMSP01080053

> <COMMON_NAME>
Clavepictine B

> <SYSTEMATIC_NAME>
(9aS)-6S-(deca-1,3E-dienyl)-4S-methyloctahydro-1H-quinolizin-3R-ol

> <FORMULA>
C20H35NO

> <MASS>
305.27

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BWYKUGCLFVUKMC-PFAWIIGSSA-N

> <INCHI>
InChI=1S/C20H35NO/c1-3-4-5-6-7-8-9-10-12-18-13-11-14-19-15-16-20(22)17(2)21(18)19/h8-10,12,17-20,22H,3-7,11,13-16H2,1-2H3/b9-8+,12-10+/t17-,18+,19-,20+/m0/s1

> <SMILES>
C1C[C@@]2([H])CC[C@@H](O)[C@H](C)N2[C@H](/C=C/C=C/CCCCCC)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
137833

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10425214

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$