LMPR0103670003
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0     0  0            999 V2000
    8.2325    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    7.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325    8.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2325    8.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7325    7.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2325    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2325    6.9336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7325    7.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2325    8.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2325    8.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7325    6.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2325    9.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9397    9.3728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5255    9.3728    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.7325    9.5317    0.0000 C   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  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  3 11  1  6  0  0  0
  2 12  2  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  6 15  1  6  0  0  0
  5 16  1  6  0  0  0
 10 17  2  0     0  0
M  END
> <LM_ID>
LMPR0103670003

> <COMMON_NAME>
Isoobtusadiene

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H21OBr

> <MASS>
296.08

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Chamigrane sesquiterpenoids [PR010367]

> <SYNONYMS>


> <INCHI_KEY>
QJLNHUJMZHEMHH-KCQAQPDRSA-N

> <INCHI>
InChI=1S/C15H21BrO/c1-10-6-5-7-15(9-10)11(2)8-12(17)13(16)14(15,3)4/h5-6,12-13,17H,1-2,7-9H2,3-4H3/t12-,13-,15+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](Br)C(C)(C)[C@]2(CC(=C)C=CC2)C1=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
137763

> <CITATION>
-

$$$$