LMPR0102120019
  LIPID_MAPS_STRUCTURE_DATABASE

 12 13  0     0  0            999 V2000
    7.8907    7.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2812    8.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9015    7.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8338    7.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823    6.5657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8572    9.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8130    8.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0142    6.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7421    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5316   10.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6102    9.4955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2796    8.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  1  0  0  0
  7 11  2  0  0  0  0
  2  3  1  0  0  0  0
  6  7  1  0  0  0  0
  2 12  1  1  0  0  0
M  END
> <LM_ID>
LMPR0102120019

> <COMMON_NAME>
(-)-alpha-Thujone

> <SYSTEMATIC_NAME>
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one (1S,4S,5R)-thujan-3-one

> <FORMULA>
C10H16O

> <MASS>
152.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Bicyclic monoterpenoids [PR010212]

> <SYNONYMS>
(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one

> <KEGG_ID>
C09906

> <HMDB_ID>
HMDB0036115

> <YMDB_ID>
-

> <CHEBI_ID>
9577

> <CAYMAN_ID>
39792

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
261491

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPR0102120019

$$$$