LMPR0103780002
  LIPID_MAPS_STRUCTURE_DATABASE

 16 18  0  0  0  0  0  0  0  0999 V2000
    7.6417    6.9372    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6417    6.0857    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4516    5.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9521    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4516    7.2004    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8318    7.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3312    6.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8318    5.8225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3661    7.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3735    5.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1626    6.5647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    8.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5686    8.0103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4060    5.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0522    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  1  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  1  9  1  6  0  0  0
  2 10  1  6  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
  1  6  1  0  0  0  0
  2  8  1  0  0  0  0
  5 12  1  1  0  0  0
  6 13  1  0  0  0  0
  8 14  1  1  0  0  0
  8 15  1  6  0  0  0
 14 16  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103780002

> <COMMON_NAME>
14-Hydroxy-modhephene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24O

> <MASS>
220.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Modhephane sesquiterpenoids [PR010378]

> <SYNONYMS>


> <INCHI_KEY>
PKIVAOLKVPUUIW-PMOUVXMZSA-N

> <INCHI>
InChI=1S/C15H24O/c1-11-5-8-14-6-4-7-15(11,14)12(2)9-13(14,3)10-16/h9,11,16H,4-8,10H2,1-3H3/t11-,13+,14-,15+/m0/s1

> <SMILES>
[C@]123C(C)=C[C@](C)(CO)[C@]1(CCC2)CC[C@@H]3C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196000

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608196

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41624

> <CITATION>
11072895

$$$$