LMPR0103060007
  LIPID_MAPS_STRUCTURE_DATABASE

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.4289    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2 10  1  0  0  0  0
  4  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  1  1  0  0  0  0
  3  6  2  0  0  0  0
  6  5  1  0  0  0  0
  6 12  1  0  0  0  0
 15  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 13  1  0  0  0  0
 14  9  1  0  0  0  0
 10 15  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103060007

> <COMMON_NAME>
(E)-alpha-bisabolene

> <SYSTEMATIC_NAME>
(9E)-bisabola-4,7(11),9-triene 4-[(1E)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene

> <FORMULA>
C15H24

> <MASS>
204.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Bisabolane sesquiterpenoids [PR010306]

> <SYNONYMS>


> <INCHI_KEY>
YHBUQBJHSRGZNF-VGOFMYFVSA-N

> <INCHI>
InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+

> <SMILES>
C1CC(C)=CCC1/C(/C)=C/C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
49242

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5315468

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$