LMPR0103620001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.5386    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5386    6.8975    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2531    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9676    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9676    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2531    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7522    6.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2371    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7522    7.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9516    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5386    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9553    6.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.6298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2531    8.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9676    8.5475    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
  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  5  1  0  0  0  0
  1 10  1  1  0  0  0
  2 10  1  1  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  3 13  1  0  0  0  0
 13 14  2  0  0  0  0
  1 15  1  6  0  0  0
  2 16  1  6  0  0  0
 16 17  2  0  0  0  0
  6 18  1  1  0  0  0
  5 19  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103620001

> <COMMON_NAME>
(-)-Merulidial

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O3

> <MASS>
248.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Isolactarane, merulane, lactarane and marasmane sesquiterpenoids [PR010362]

> <SYNONYMS>


> <INCHI_KEY>
NFLNZGQBGCPDMT-WCUVEOEZSA-N

> <INCHI>
InChI=1S/C15H20O3/c1-13(2)4-9-10(5-13)12(18)14(3)7-15(14,8-17)11(9)6-16/h6,8,10,12,18H,4-5,7H2,1-3H3/t10-,12+,14+,15+/m1/s1

> <SMILES>
[C@@]12(C)C[C@]1(C=O)C(C=O)=C1CC(C)(C)C[C@@]1([H])[C@@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187744

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
115072

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$