LMPR02020058
  LIPID_MAPS_STRUCTURE_DATABASE

 28 29  0  0  0  0  0  0  0  0999 V2000
    6.9833    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2688    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4122    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7005    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7005    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4149    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9860    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2715    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5570    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8425    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8425    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1281    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4136    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9847    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5558    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1267    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8412    6.0725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 27 26  1  6  0  0  0
 27  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  1  2  0  0  0  0
  3  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  5  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 27 10  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  1  0  0  0
M  END
> <LM_ID>
LMPR02020058

> <COMMON_NAME>
didesmethyl tocotrienol

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

> <FORMULA>
C25H36O2

> <MASS>
368.27

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,4-dihydro-2-(4,8,12-trimethyltrideca-3'(E),7'(E),11'-trienyl)-2H-1-benzopyran-6-ol

> <INCHI_KEY>
WSTGHGHPTQPFAP-JMFFIKRNSA-N

> <INCHI>
InChI=1S/C25H36O2/c1-19(2)8-5-9-20(3)10-6-11-21(4)12-7-13-24-16-14-22-18-23(26)15-17-25(22)27-24/h8,10,12,15,17-18,24,26H,5-7,9,11,13-14,16H2,1-4H3/b20-10+,21-12+/t24-/m1/s1

> <SMILES>
C1C(=CC=C2O[C@@]([H])(CCC=12)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/C)\C)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
33278

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5460702

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$