LMPR0103860001
  LIPID_MAPS_STRUCTURE_DATABASE

 15 17  0     0  0            999 V2000
    6.0607    8.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    8.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    8.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    6.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4267    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    9.4266    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  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  4 11  1  6  0  0  0
  7 11  1  6  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103860001

> <COMMON_NAME>
(-)-Thujopsene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Thujopsane sesquiterpenoids [PR010386]

> <SYNONYMS>


> <INCHI_KEY>
WXQGPFZDVCRBME-QEJZJMRPSA-N

> <INCHI>
InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1

> <SMILES>
C1C[C@@]2(C)CC=C(C)[C@@H]3C[C@]23C(C)(C)C1

> <KEGG_ID>
C09740

> <HMDB_ID>
-

> <CHEBI_ID>
9578

> <ABBREVIATION>
-

> <CAYMAN_ID>
35270

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442402

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
13727

> <CITATION>
-

$$$$