LMPR0103500016
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    5.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4191    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4191    6.1193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8383    6.1193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8383    6.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2998    8.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7095    7.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192    8.0580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    7.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384    8.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7191    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    5.7096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5385    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9387    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4923    6.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480    8.1677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    8.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1288    8.1677    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4191    8.5774    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 19  1  0  0  0  0
 19 11  1  0  0  0  0
 11 17  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
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103500016

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

> <SYSTEMATIC_NAME>
(1R,8S)-5-(1-methoxypropan-2-yl)-2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-5-ene

> <FORMULA>
C19H32O

> <MASS>
276.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Longifolane sesquiterpenoids [PR010350]

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

> <INCHI_KEY>
OATGSVTXJNCBBR-YYVQVQHNSA-N

> <INCHI>
InChI=1S/C19H32O/c1-13(12-20-6)15-8-9-17(2,3)19-10-7-14(11-19)18(4,5)16(15)19/h13-14H,7-12H2,1-6H3/t13?,14-,19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48335

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24755532

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$