LMPR0103130001
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.2220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    6.0373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680    6.4322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680    7.2220    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6840    7.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9855    5.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    6.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0982    6.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    7.5387    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9855    7.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7555    5.3258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4395    5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6840    8.4068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3680    8.0119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4395    7.9337    0.0000 H   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  2  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 11  1  0  0  0  0
 11  5  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  5 10  1  0  0  0  0
  6 15  2  0  0  0  0
  5 16  1  6  0  0  0
 10 17  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103130001

> <COMMON_NAME>
(+)-Bicyclohumulenone

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24O

> <MASS>
220.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Bicyclohumulane sesquiterpenoids [PR010313]

> <SYNONYMS>


> <INCHI_KEY>
JKPHAPPVNYODTG-WYJARBCXSA-N

> <INCHI>
InChI=1S/C15H24O/c1-11-5-6-13(16)15(4)10-12(15)9-14(2,3)8-7-11/h7,12H,5-6,8-10H2,1-4H3/b11-7+/t12-,15-/m0/s1

> <SMILES>
C1C(=O)[C@]2(C)[C@]([H])(C2)CC(C)(C)CC=C(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187588

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608140

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3195

> <CITATION>
-

$$$$