LMFA07010583
  LIPID_MAPS_STRUCTURE_DATABASE

 13 12  0     0  0            999 V2000
    9.5820    9.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5820    8.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3726    8.0824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3726    6.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7197    8.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573    8.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9949    8.2408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8573    9.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5103    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6479    6.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7854    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9230    6.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  1  0  0  0
  4  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010583

> <COMMON_NAME>
SFE 6:0/4:0(3OH[R])

> <SYSTEMATIC_NAME>
Hexyl (R)-3-hydroxybutyrate

> <FORMULA>
C10H20O3

> <MASS>
188.14

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty esters [FA07]

> <SUB_CLASS>
Short fatty esters [FA0710]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
WE(6:0/4:0(3OH[R]))

> <INCHI_KEY>
NUOMIZNYSYMUJI-SECBINFHSA-N

> <INCHI>
InChI=1S/C10H20O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h9,11H,3-8H2,1-2H3/t9-/m1/s1

> <SMILES>
O=C(C[C@H](O)C)OCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179159

> <ABBREVIATION>
WE 10:0;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
56936001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1188055

> <CITATION>
21308966

$$$$