LMPR02020065
  LIPID_MAPS_STRUCTURE_DATABASE

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.2666    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666    5.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    5.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7008    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843    6.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4185    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1336    5.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1336    6.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4185    6.6568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9843    7.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1336    7.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8521    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5708    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2893    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0079    6.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7265    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4450    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1636    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8822    6.2433    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6006    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3194    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0379    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7564    6.2433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2226    5.4418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2969    5.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4673    5.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5931    5.5250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7627    5.4412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4942    6.6824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.6521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  1  6  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  2 12  1  0  0  0  0
  9 13  1  1  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 17 26  1  1  0  0  0
 21 27  1  1  0  0  0
 21 28  1  6  0  0  0
 17 29  1  6  0  0  0
 25 30  1  0  0  0  0
 25 31  1  0  0  0  0
  1 32  1  0  0  0  0
M  END
> <LM_ID>
LMPR02020065

> <COMMON_NAME>
gamma-tocopherol

> <SYSTEMATIC_NAME>
(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol

> <FORMULA>
C28H48O2

> <MASS>
416.37

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QUEDXNHFTDJVIY-DQCZWYHMSA-N

> <INCHI>
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1

> <SMILES>
C1(C)=C(C)C2O[C@@](CCC[C@]([H])(C)CCC[C@]([H])(C)CCCC(C)C)(C)CCC=2C=C1O

> <KEGG_ID>
C02483

> <HMDB_ID>
-

> <CHEBI_ID>
18185

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92729

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$