LMFA07040119
  LIPID_MAPS_STRUCTURE_DATABASE

 13 13  0     0  0            999 V2000
    6.3751   -3.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2411   -4.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2411   -5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3751   -5.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5091   -5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5091   -4.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6431   -5.9001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071   -3.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1071   -5.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9732   -5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392   -5.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7052   -5.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5712   -5.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  1     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  5  7  2  0     0  0
  2  8  1  1     0  0
  3  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
M  END
> <LM_ID>
LMFA07040119

> <COMMON_NAME>
Poprunellelactone

> <SYSTEMATIC_NAME>
4R-hydroxy-2Z,5R-decenolide

> <FORMULA>
C10H16O3

> <MASS>
184.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Lactones [FA0704]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PXBSVQSCXKMEGT-RKDXNWHRSA-N

> <INCHI>
InChI=1S/C10H16O3/c1-2-3-4-5-9-8(11)6-7-10(12)13-9/h6-9,11H,2-5H2,1H3/t8-,9-/m1/s1

> <SMILES>
C1=CC(=O)O[C@H](CCCCC)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 10:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120998

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
306964

> <CITATION>
32551938

$$$$