LMPR0103310001
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7145    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8579    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2869    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.4125    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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  1  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  3 14  2  0  0  0  0
  5 15  1  6  0  0  0
  4 16  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103310001

> <COMMON_NAME>
(-)-Valeranone

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H26O

> <MASS>
222.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Valerane sesquiterpenoids [PR010331]

> <SYNONYMS>


> <INCHI_KEY>
HDVXJTYHXDVWQO-SNPRPXQTSA-N

> <INCHI>
InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10198387

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$