LMPR0104400004
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.2694    7.0639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2694    6.2383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9843    5.8255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    6.2383    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6992    7.0639    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9843    7.4766    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4142    5.8255    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1291    6.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1291    7.0639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4142    7.4766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8127    8.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9916    8.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6559    7.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6675    8.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1624    8.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3370    8.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9880    9.6576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8441    7.4766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    5.4128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992    7.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    6.6511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4142    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843    6.6511    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  1  0  0  0  0
  4  5  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
  6 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13  1  1  0  0  0  0
  6  5  1  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1 17  1  6  0  0  0
 16 18  1  0  0  0  0
  9 19  1  6  0  0  0
  2 20  1  6  0  0  0
  5 10  1  0  0  0  0
  4 21  1  1  0  0  0
  5 22  1  6  0  0  0
 10 23  1  1  0  0  0
  7 24  1  6  0  0  0
  6 25  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104400004

> <COMMON_NAME>
Kempene 1

> <SYSTEMATIC_NAME>
7,9-kempadiene-2alpha,13alpha-diol

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Trinervitane and kempane diterpenoids [PR010440]

> <SYNONYMS>


> <INCHI_KEY>
WOKPPKKFNCMWGJ-WBRVHCQUSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-11-5-6-14-12(2)9-16(21)15-10-17(22)19(3)8-7-13(11)18(19)20(14,15)4/h5,7,12,14-18,21-22H,6,8-10H2,1-4H3/t12-,14-,15+,16+,17+,18-,19-,20+/m1/s1

> <SMILES>
[C@]12(C)CC=C3C(C)=CC[C@@]4([H])[C@](C)([C@@]13[H])[C@]([H])([C@@H](O)C[C@H]4C)C[C@@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608255

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$