LMPR0103500014
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7097    5.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196    6.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196    6.1196    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8391    6.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8391    6.9393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2999    8.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7097    7.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1195    8.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1294    7.3491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8392    8.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7196    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1294    5.7098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5392    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9393    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4925    6.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1294    8.1687    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4196    8.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4196    9.3981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5491    8.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2589    8.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8 15  1  0  0  0  0
  8  3  1  0  0  0  0
 15  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  4  1  0  0  0  0
 10  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4 13  1  0  0  0  0
 10  6  1  0  0  0  0
 13  5  1  0  0  0  0
  5  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 17  1  0  0  0  0
 17 11  1  0  0  0  0
 11 20  1  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  1  0  0  0
  4 16  1  1  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103500014

> <COMMON_NAME>
5-(1-methoxybutan-2-yl)isolongifol-5-ene

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H34O

> <MASS>
290.26

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Longifolane sesquiterpenoids [PR010350]

> <SYNONYMS>
5-(1-methoxybut-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene

> <INCHI_KEY>
VLTVWKKPNYFSMO-NEYBVYDXSA-N

> <INCHI>
InChI=1S/C20H34O/c1-7-14(13-21-6)16-9-10-18(2,3)20-11-8-15(12-20)19(4,5)17(16)20/h14-15H,7-13H2,1-6H3/t14?,15-,20-/m0/s1

> <SMILES>
C1C[C@]23C[C@H]1C(C)(C)C2=C(C(CC)COC)CCC3(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48332

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24755567

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$