LMPR0103490003
  LIPID_MAPS_STRUCTURE_DATABASE

 16 18  0  0  0  0  0  0  0  0999 V2000
    6.9597    6.8778    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9597    6.1235    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5494    5.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    5.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6120    6.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2848    7.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5494    7.3480    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3065    7.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    6.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6532    6.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3065    5.7463    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0000    5.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1722    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9265    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3815    8.0834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3065    8.0092    0.0000 C   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  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11  2  1  0  0  0  0
 10 12  1  0  0  0  0
 11  7  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  7 15  1  6  0  0  0
  8 16  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103490003

> <COMMON_NAME>
(+)-Vulgraon B

> <SYSTEMATIC_NAME>
(+)-3-longipinen-5-one

> <FORMULA>
C16H24

> <MASS>
216.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Longipinane sesquiterpenoids [PR010349]

> <SYNONYMS>


> <INCHI_KEY>
XHHIKHVPBSQUIJ-RWJFHBPKSA-N

> <INCHI>
InChI=1S/C16H24/c1-10-9-11(2)13-14-12(10)16(13,5)8-6-7-15(14,3)4/h9,12-14H,1,6-8H2,2-5H3/t12?,13?,14?,16-/m1/s1

> <SMILES>
C12C(=C)C=C(C)C3[C@]1(C)CCCC(C)(C)C23

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$