LMPR0104040002
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0  0  0  0  0  0  0  0999 V2000
    6.4270    7.3073    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4270    6.4834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7135    7.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135    6.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541    7.3073    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8541    6.4834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1406    7.7192    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1406    6.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7135    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677    7.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406    8.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541    8.9551    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5676    8.5431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5677    6.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1406    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    8.1312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    5.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1405   10.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1405   11.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    9.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540   11.4268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8875    8.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    9.7790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2660   10.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6779    9.7790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2  1  1  0  0  0  0
  4 11  1  0  0  0  0
  7 12  1  6  0  0  0
  9 13  1  0  0  0  0
 14 13  1  6  0  0  0
 14 25  1  0  0  0  0
 14 15  1  0  0  0  0
  8 16  1  1  0  0  0
 10 17  2  0  0  0  0
  1 18  1  6  0  0  0
  2 19  1  1  0  0  0
 25 20  1  1  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
  9 24  1  1  0  0  0
 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104040002

> <COMMON_NAME>
terpentecin

> <SYSTEMATIC_NAME>
[(2S)-2-{(1R)-1-hydroxy-2-[(1S,2S,3R,4aS,8aS)-3-hydroxy-1,2,4a,5-tetramethyl-4-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]ethyl}oxiran-2-yl](oxo)acetaldehyde

> <FORMULA>
C20H28O6

> <MASS>
364.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Colensane and clerodane diterpenoids [PR010404]

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
50301

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127568

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://www.lipidmaps.org/data/LMSDRecord.php?LMID=LMPR0104040002

$$$$