LMPR0103500018
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0  0  0  0  0  0  0  0999 V2000
    5.4693    6.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9778    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6314    5.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6315    7.4149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5470    6.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2385    6.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    5.7985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8529    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2287    7.0948    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2287    7.8933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2286    6.2963    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2286    5.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4693    7.3415    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2627    8.1128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    8.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8530    7.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5446    7.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 12  1  0  0  0  0
 12 10  1  0  0  0  0
 10 17  1  0  0  0  0
 10 14  1  0  0  0  0
  1 12  1  0  0  0  0
 14  2  1  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  3  1  0  0  0  0
  8  4  1  0  0  0  0
 17  5  1  0  0  0  0
  8  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  9  1  1  0  0  0
  6 14  1  0  0  0  0
 10 11  1  6  0  0  0
 12 13  1  6  0  0  0
 14 15  1  1  0  0  0
 17 16  1  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103500018

> <COMMON_NAME>
(-)-longifolene

> <SYSTEMATIC_NAME>
(1R,3aS,4R,8aR)-4,8,8-trimethyl-9-methylidenedecahydro-1,4-methanoazulene

> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Longifolane sesquiterpenoids [PR010350]

> <SYNONYMS>
(1R,3aS,4R,8aR)-4,8,8-trimethyl-9-methylenedecahydro-1,4-methanoazulene

> <INCHI_KEY>
PDSNLYSELAIEBU-XPCVCDNBSA-N

> <INCHI>
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m0/s1

> <SMILES>
C1C[C@@]2([H])C(=C)[C@]3(C)CCCC(C)(C)[C@@]2([H])[C@@]31[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
49286

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1201520

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$