LMSP01080035
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   21.2440    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4582    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5650    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6718    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7786    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8854    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9924    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0993    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2061    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3129    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4198    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5265    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6333    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7403    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8471    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9539    7.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3514    6.3608    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4582    8.9191    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  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  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
  2 19  1  6  0  0  0
  3 20  1  1  0  0  0
M  END
> <LM_ID>
LMSP01080035

> <COMMON_NAME>
Obscuraminol A

> <SYSTEMATIC_NAME>
1-deoxy-sphinga-6Z,9Z,12Z,15Z-tetraenine

> <FORMULA>
C18H31NO

> <MASS>
277.24

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YNNQTVPKSXTDCK-SABUVIKOSA-N

> <INCHI>
InChI=1S/C18H31NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h4-5,7-8,10-11,13-14,17-18,20H,3,6,9,12,15-16,19H2,1-2H3/b5-4-,8-7-,11-10-,14-13-/t17-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
73892

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10062076

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
282280

> <CITATION>
-

$$$$