LMPR02020055
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0  0  0  0  0  0  0  0999 V2000
    6.9833    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    7.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7005    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7005    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4149    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9860    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2715    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5570    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8425    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8425    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1282    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4136    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5558    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    7.0625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
 29 28  1  6  0  0  0
 29  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  2  2  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  6  2  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
 11  9  2  0  0  0  0
 11  5  1  0  0  0  0
 29 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  1  1  0  0  0
M  END
> <LM_ID>
LMPR02020055

> <COMMON_NAME>
beta-tocotrienol

> <SYSTEMATIC_NAME>
2R,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol

> <FORMULA>
C28H42O2

> <MASS>
410.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(2R)-3,4-dihydro-2,5,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrienyl]-2H-1-benzopyran-6-ol; beta-tocotrienol; epsilon-tocopherol

> <INCHI_KEY>
FGYKUFVNYVMTAM-WAZJVIJMSA-N

> <INCHI>
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1

> <SMILES>
CC1C(=CC(=C2O[C@@](C)(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)C)O

> <KEGG_ID>
C14154

> <HMDB_ID>
-

> <CHEBI_ID>
33275

> <ABBREVIATION>
-

> <CAYMAN_ID>
9001533

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282348

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$