LMPR0103090009
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0  0  0  0  0999 V2000
    6.9145    6.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    7.8238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    6.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189    7.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0768    7.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    6.4889    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9145    8.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7189    6.4131    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7310    8.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0490    5.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9318    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2300    5.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    7.5689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2332    5.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    5.1846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  8  5  1  0  0  0  0
  8 14  2  0  0  0  0
  9  1  1  0  0  0  0
  1  4  2  0  0  0  0
  3 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  9  6  1  0  0  0  0
  9 15  1  1  0  0  0
  7 13  1  1  0  0  0
  8 10  1  0  0  0  0
 15 11  1  0  0  0  0
 15 12  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103090009

> <COMMON_NAME>
germacradienol

> <SYSTEMATIC_NAME>
2-[(1R,2E,4S,7E)-4,8-dimethylcyclodeca-2,7-dien-1-yl]propan-2-ol

> <FORMULA>
C15H26O

> <MASS>
222.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
ZVZPKUXZGROCDB-IFRRKGDKSA-N

> <INCHI>
InChI=1S/C15H26O/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,11,13-14,16H,5,7-8,10H2,1-4H3/b11-9+,12-6+/t13-,14+/m0/s1

> <SMILES>
C1=C[C@@H](C)CCC=C(C)CC[C@H]1C(O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
46734

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16667385

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$