LMSP01030002
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   21.5818    7.2545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7196    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8573    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9951    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1326    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2703    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4082    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5458    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6834    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8211    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9589    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0967    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2343    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3720    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5097    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6474    7.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7852    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9229    7.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.2545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4934    8.6141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3135    8.6053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5448    6.4069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.5121    6.4361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.4356    6.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4855    6.3605    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  2  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
 18 19  1  0  0  0  0
  4 20  1  1  0  0  0
  4 21  1  6  0  0  0
  3 22  1  6  0  0  0
  3 23  1  1  0  0  0
  5 24  1  1  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMSP01030002

> <COMMON_NAME>
Dehydrophytosphingosine

> <SYSTEMATIC_NAME>
4R-hydroxysphing-8E-enine

> <FORMULA>
C18H37NO3

> <MASS>
315.28

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
4-Hydroxysphinganines (Phytosphingosines) [SP0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-hydroxy-8-sphingenine

> <INCHI_KEY>
CQKNELOTFUSOTP-HMTIOLNVSA-N

> <INCHI>
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1

> <SMILES>
OC[C@]([H])(N)[C@]([H])(O)[C@@](O)([H])CCC/C=C/CCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
20386

> <ABBREVIATION>
SPB 18:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14757418

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3847

> <CITATION>
14018956

$$$$