LMPR0104220002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.2361    7.4837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225    6.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3556    6.7567    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.0599    7.5269    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1421    6.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8272    6.9672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8950    7.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2945    8.3551    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4778    8.2382    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6016    9.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0921    9.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2754    9.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9682    8.8871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7681    6.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7658   10.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6474    8.2413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4106    6.3839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    7.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8903    7.5238    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
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  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
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  6  0  0  0
  3 16  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
  5 20  1  1  0  0  0
  7 21  1  1  0  0  0
  7 22  1  6  0  0  0
 10 23  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104220002

> <COMMON_NAME>
Presphaerol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H34O

> <MASS>
290.26

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Sphaerane diterpenoids [PR010422]

> <SYNONYMS>


> <INCHI_KEY>
QOYFRUFHTPXBBI-KFCWCOGWSA-N

> <INCHI>
InChI=1S/C20H34O/c1-13(2)17-8-9-18-16-10-14(3)6-7-15(16)11-19(4,21)12-20(17,18)5/h10,13,15-18,21H,6-9,11-12H2,1-5H3/t15?,16-,17+,18+,19-,20-/m0/s1

> <SMILES>
C1[C@]2([H])[C@@]3([H])C=C(C)CCC3C[C@@](O)(C)C[C@@]2(C)[C@@H](C(C)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188193

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608234

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
31467

> <CITATION>
-

$$$$