LMPR0102090046
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0  0  0  0  0  0  0  0999 V2000
    5.0084    7.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0084    6.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    6.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4349    6.8880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4349    7.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7258    8.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0042    8.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4317    8.5439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254    9.3697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1379    9.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7105    9.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7180    5.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277    5.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0  0  0  0
  1  2  1  0  0  0  0
  6  8  1  0  0  0  0
  2  3  1  0  0  0  0
  8  9  1  0  0  0  0
  3  4  1  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
  9 11  2  0  0  0  0
  5  6  1  0  0  0  0
  3 12  1  0  0  0  0
  6  1  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
M  END
> <LM_ID>
LMPR0102090046

> <COMMON_NAME>
beta-Terpinyl acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C12H20O2

> <MASS>
196.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Menthane monoterpenoids [PR010209]

> <SYNONYMS>


> <INCHI_KEY>
URVNHQCLMBMWIW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C12H20O2/c1-9(2)11-5-7-12(4,8-6-11)14-10(3)13/h11H,1,5-8H2,2-4H3

> <SMILES>
C1C(CCC(C(=C)C)C1)(OC(=O)C)C

> <KEGG_ID>
C12301

> <HMDB_ID>
-

> <CHEBI_ID>
32327

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
88693

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$