LMPR0103150001
  LIPID_MAPS_STRUCTURE_DATABASE

 16 18  0     0  0            999 V2000
    8.4622    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269    6.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3269    7.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    8.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5973    7.5584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5973    6.5599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2097    8.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    7.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7869    8.4284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2800    9.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3052    9.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5035    8.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416    6.7056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1040    7.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  7  1  0  0  0  0
  7 14  1  1  0  0  0
 10 15  1  1  0  0  0
 10 16  1  6  0  0  0
 11 16  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103150001

> <COMMON_NAME>
iso-Debromo-laurinterol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O

> <MASS>
216.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclolaurane sesquiterpenoids [PR010315]

> <SYNONYMS>


> <INCHI_KEY>
CVIXDDABZMVCMV-SNPRPXQTSA-N

> <INCHI>
InChI=1S/C15H20O/c1-10-4-5-11(8-13(10)16)14(2)7-6-12-9-15(12,14)3/h4-5,8,12,16H,6-7,9H2,1-3H3/t12-,14+,15+/m1/s1

> <SMILES>
C1=C(C)C(O)=CC([C@]2(C)CC[C@@H]3C[C@]23C)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11390308

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2510711

> <CITATION>
17119641

$$$$