LMPR0103120003
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0     0  0            999 V2000
    8.0773    9.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0773    8.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542    9.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0542    8.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3254    9.7604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.7752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0689   10.0629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0182    7.1121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8127    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5294    8.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5294    9.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8127    9.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7940    9.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113    6.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4532    9.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2466    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  4  1  0  0  0  0
  1  7  1  1  0  0  0
  2  8  1  6  0  0  0
  1  2  1  0  0  0  0
 14  1  1  0     0  0
 13 14  1  0     0  0
 12 13  1  0     0  0
 11 12  2  0     0  0
  9 11  1  0     0  0
 10  2  1  0     0  0
  9 10  1  0     0  0
 10 15  2  0     0  0
 12 16  1  0     0  0
 16 17  2  0     0  0
M  END
> <LM_ID>
LMPR0103120003

> <COMMON_NAME>
Leptotriene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22

> <MASS>
202.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Caryophyllane sesquiterpenoids [PR010312]

> <SYNONYMS>


> <INCHI_KEY>
FXKCRBZUUFWUJK-PISUUVGWSA-N

> <INCHI>
InChI=1S/C15H22/c1-5-12-7-6-11(2)13-10-15(3,4)14(13)9-8-12/h5,7,13-14H,1-2,6,8-10H2,3-4H3/b12-7-/t13-,14-/m1/s1

> <SMILES>
[C@]12(CCC(C=C)=CCC(=C)[C@@]1([H])CC2(C)C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120429

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1228019

> <CITATION>
35877168

$$$$