LMPR0103050009
  LIPID_MAPS_STRUCTURE_DATABASE

 16 16  0  0  0  0  0  0  0  0999 V2000
    5.9074    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9074    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    5.5495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    7.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6219    8.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.5495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1614    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7489    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0508    7.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7653    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    7.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    8.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1943    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3364    6.7870    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3364    7.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  1  1  0  0  0  0
 15 10  1  0  0  0  0
 15  3  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  1  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  2  0  0  0  0
 15  5  1  0  0  0  0
  5  6  1  0  0  0  0
 10 11  2  0  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 15 16  1  1  0  0  0
M  END
> <LM_ID>
LMPR0103050009

> <COMMON_NAME>
(6S)-dehydrovomifoliol

> <SYSTEMATIC_NAME>
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one

> <FORMULA>
C13H18O3

> <MASS>
222.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>
(4S)-4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-enyl]cyclohex-2-en-1-one;(6S)-6-hydroxy-3-oxo-alpha-ionone; Dehydrovomifoliol

> <KEGG_ID>
C02533

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
4372

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
688492

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0103050009

$$$$