LMPR0103080001
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0     0  0            999 V2000
    7.7927    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6588    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    9.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    9.0606    0.0000 O   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
  1  7  1  6  0  0  0
  7  8  2  0  0  0  0
  9 10  2  0  0  0  0
  2 10  1  1  0  0  0
 10 11  1  0  0  0  0
  1 12  1  1  0  0  0
  4 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  5 16  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103080001

> <COMMON_NAME>
beta-Elemenone

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O

> <MASS>
218.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Elemane sesquiterpenoids [PR010308]

> <SYNONYMS>


> <INCHI_KEY>
ABLPGPHZENVRRH-DZGCQCFKSA-N

> <INCHI>
InChI=1S/C15H22O/c1-7-15(6)9-14(16)12(10(2)3)8-13(15)11(4)5/h7,13H,1,4,8-9H2,2-3,5-6H3/t13-,15+/m0/s1

> <SMILES>
[C@]1(C)(C=C)CC(=O)/C(=C(\C)/C)/C[C@H]1C(C)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169732

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10955018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
880078

> <CITATION>
-

$$$$