LMPR0103410008
  LIPID_MAPS_STRUCTURE_DATABASE

 16 17  0     0  0            999 V2000
    6.1893   -4.9301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6385   -4.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6138   -3.8301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3853   -4.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6146   -5.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3759   -5.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5879   -6.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3437   -4.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9266   -4.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3284   -5.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6616   -3.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8474   -2.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6285   -6.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9820   -6.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9950   -6.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3365   -7.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  6  7  1  0     0  0
  5  7  1  0     0  0
  1  5  1  0     0  0
  4  6  2  0     0  0
  3  4  1  0     0  0
  2  3  1  0     0  0
  1  2  1  0     0  0
  4  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  6  1  0     0  0
  8 11  2  0     0  0
  3 12  1  6     0  0
 10 13  1  6     0  0
  5 14  1  6     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
M  END
> <LM_ID>
LMPR0103410008

> <COMMON_NAME>
Rotundone

> <SYSTEMATIC_NAME>
(3S,5R,8S)-3,8-dimethyl-5-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-azulen-1-one

> <FORMULA>
C15H22O

> <MASS>
218.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Guaiane sesquiterpenoids [PR010341]

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
191710

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321003

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0103410008

$$$$