LMPR0102090059
  LIPID_MAPS_STRUCTURE_DATABASE

 12 12  0  0  0  0  0  0  0  0999 V2000
    6.6414    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9269    6.2375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2124    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5144    8.0448    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3394    8.0448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8538    7.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6702    6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1836    6.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564    8.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6581    7.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  1  0  0  0
  9  3  1  0  0  0  0
 10  3  1  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  1  0  0  0
  6  7  1  0  0  0  0
  7 12  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <LM_ID>
LMPR0102090059

> <COMMON_NAME>
(4S,7R)-4-isopropenyl-7-methyloxepan-2-one

> <SYSTEMATIC_NAME>
(4S,7R)-7-methyl-4-(prop-1-en-2-yl)oxepan-2-one

> <FORMULA>
C10H16O2

> <MASS>
168.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Menthane monoterpenoids [PR010209]

> <SYNONYMS>
(4S,7R)-4-Isopropenyl-7-methyl-2-oxo-oxepanone;(4S,7R)-7-methyl-4-(1-methylethen-1-yl)oxepan-2-one;(4S,7R)-7-methyl-4-(1-methylethenyl)oxepan-2-one

> <KEGG_ID>
C11414

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
233

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443182

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0102090059

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