LMSP01080018
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0  0  0  0  0  0  0  0999 V2000
    6.4450    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1675    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8901    6.9682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6126    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3351    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0576    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7801    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5026    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9476    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6702    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3927    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1152    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8377    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880    6.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2917    6.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0953    6.8908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8990    6.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2917    5.6723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4880    7.5871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7225    6.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3836    5.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3917    5.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276    5.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8969    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6091    5.2782    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  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  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
 16 19  1  6  0  0  0
 15 20  2  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
  2 23  2  0  0  0  0
  4 24  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 19 27  1  0  0  0  0
M  END
> <LM_ID>
LMSP01080018

> <COMMON_NAME>
Calicogorgin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H41NO3

> <MASS>
379.31

> <CATEGORY>
Sphingolipids [SP]

> <MAIN_CLASS>
Sphingoid bases [SP01]

> <SUB_CLASS>
Sphingoid base analogs [SP0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCZMLTPOPVHWAU-FQEVSTJZSA-N

> <INCHI>
InChI=1S/C23H41NO3/c1-5-14-22-18(2)19(3)23(27-22)16-13-11-9-7-6-8-10-12-15-21(26)20(17-25)24-4/h20,24-25H,5-17H2,1-4H3/t20-/m0/s1

> <SMILES>
C(CC)C1=C(C)C(C)=C(CCCCCCCCCCC(=O)[C@@H](NC)CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608354

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$