LMPR02020062
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
    7.1434    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0012    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    7.4750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4289    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0733    6.6781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 15  1  0  0  0  0
 13  1  2  0  0  0  0
 15 11  2  0  0  0  0
 11  9  1  0  0  0  0
  9 16  2  0  0  0  0
 16  1  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  8  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6 21  2  0  0  0  0
  6 20  1  0  0  0  0
  8  7  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
> <LM_ID>
LMPR02020062

> <COMMON_NAME>
alhpa-tocopheronic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H24O5

> <MASS>
296.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Simon metabolite

> <INCHI_KEY>
SAEVUBOEVWFRFU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H24O5/c1-9-10(2)15(20)12(11(3)14(9)19)5-7-16(4,21)8-6-13(17)18/h19-21H,5-8H2,1-4H3,(H,17,18)

> <SMILES>
C1(CCC(O)(C)CCC(O)=O)C(O)=C(C)C(C)=C(O)C=1C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186755

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52929835

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$