LMPR0103830001
  LIPID_MAPS_STRUCTURE_DATABASE

 18 20  0     0  0            999 V2000
    6.8989    8.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8989    7.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    7.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    8.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    9.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4139    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2522    7.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2522    8.9647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4139    9.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4139    6.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2522    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4139   10.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    9.9327    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5756    7.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9973    8.7725    0.0000 O   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
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  1  6  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  2 14  1  0  0  0  0
 10 15  1  0  0  0  0
  5  4  1  0  0  0  0
  5 16  1  6  0  0  0
  4 17  1  6  0  0  0
  3 18  1  0  0  0  0
 10 18  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103830001

> <COMMON_NAME>
5,10-Epoxy-muurolane

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H24O

> <MASS>
220.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Copaane sesquiterpenoids [PR010383]

> <SYNONYMS>


> <INCHI_KEY>
OAXPUWUDEOULDN-BHPKHCPMSA-N

> <INCHI>
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15+/m1/s1

> <SMILES>
C1C[C@]2([H])[C@@]3([H])[C@@H](C(C)C)CC[C@@]2(OC3=C1C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
195997

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608200

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
204384

> <CITATION>
11820763

$$$$