LMPR0104440001
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    9.4140    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3800    8.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3459    7.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9140    8.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8459    8.6323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8800    8.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3800    9.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8800    9.8911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8353    7.1864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4646    6.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3982    6.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1728   10.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5870   10.5983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5139    9.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6479    9.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7818    9.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0388    8.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4454    7.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    8.0470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3641    7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1053    6.0606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9454    7.0765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0639    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
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  2  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  7  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  3  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 15  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  6  0  0  0
 18 22  2  0  0  0  0
 17 23  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104440001

> <COMMON_NAME>
Eremolactone

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O2

> <MASS>
298.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Eremane diterpenoids [PR010444]

> <SYNONYMS>


> <INCHI_KEY>
XDOSSDQISIQOLI-MJNPNCJRSA-N

> <INCHI>
InChI=1S/C20H26O2/c1-12-5-7-20-8-6-14(10-16(12)20)19(3,4)17(20)11-15-9-13(2)18(21)22-15/h9-12,14,17H,5-8H2,1-4H3/b15-11-/t12-,14?,17?,20?/m0/s1

> <SMILES>
C1CC2C(C)(C)C(/C=C3\OC(=O)C(C)=C\3)C31CC[C@]([H])(C)C3=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608258

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
255893

> <CITATION>
-

$$$$