LMPR0104460001
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.0000    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4289    7.0625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7144    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8579    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    5.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4302    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  4  3  1  6  0  0  0
  4  5  1  0  0  0  0
  5  6  1  1  0  0  0
  6  1  2  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
  8 11  1  6  0  0  0
  5 12  1  6  0  0  0
  3 13  1  0  0  0  0
  8 14  1  1  0  0  0
 15 11  2  0  0  0  0
 11 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 18 22  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104460001

> <COMMON_NAME>
17,18-Epoxy-8,10,13(15)-lobatriene

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O

> <MASS>
288.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Lobane diterpenoids [PR010446]

> <SYNONYMS>


> <INCHI_KEY>
PLMPUHCOGGTVIR-JZXJGBJOSA-N

> <INCHI>
InChI=1S/C20H32O/c1-8-20(7)12-11-16(13-17(20)14(2)3)15(4)9-10-18-19(5,6)21-18/h8-9,16-18H,1-2,10-13H2,3-7H3/b15-9+/t16-,17+,18+,20-/m0/s1

> <SMILES>
C=C[C@@]1(C)CC[C@]([H])(/C(/C)=C/C[C@H]2OC2(C)C)C[C@@H]1C(C)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608262

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$