LMPR0103870002
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0  0  0  0  0  0  0  0999 V2000
    6.3679    7.7564    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3679    6.9314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1929    6.9314    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1929    7.7564    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5834    8.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0984    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5834    6.6764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9776    6.6764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4625    7.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    8.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1929    8.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3679    8.5814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3901    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9776    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2151    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3679    6.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1929    6.1064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7969    5.8795    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  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4 11  1  1  0  0  0
  1 12  1  6  0  0  0
  8 13  1  1  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
  2 16  1  6  0  0  0
  3 17  1  1  0  0  0
  7 18  1  6  0  0  0
  7 19  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103870002

> <COMMON_NAME>
Bourbonol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H26O

> <MASS>
222.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Bourbonane sesquiterpenoids [PR010387]

> <SYNONYMS>


> <INCHI_KEY>
HNNQYJPDMHXZMQ-RHTUOURWSA-N

> <INCHI>
InChI=1S/C15H26O/c1-9(2)10-5-7-14(3)11-6-8-15(4,16)13(11)12(10)14/h9-13,16H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-/m0/s1

> <SMILES>
[C@@]12([H])CC[C@@](O)(C)[C@]1([H])[C@@]1([H])[C@H](C(C)C)CC[C@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12301996

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
12947

> <CITATION>
15459757

$$$$