LMPR02020059
  Accord  08271317192D

 32 33  0  0  0  0  0  0  0  0999 V2000
    6.2711    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2711    6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935    5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7144    6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7144    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935    7.3162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368    5.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    6.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4368    7.3162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935    8.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9935    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1565    7.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8795    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6028    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3259    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0491    6.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.7722    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4954    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2186    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9417    6.9000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.6648    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3881    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1112    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8344    6.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2652    6.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3593    6.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5242    6.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6316    6.1769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8407    6.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5768    7.3420    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
  3 13  1  0  0  0  0
  9 14  1  1  0  0  0
 15  9  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
 26 25  1  0  0  0  0
 18 27  1  1  0  0  0
 22 28  1  1  0  0  0
 22 29  1  6  0  0  0
 18 30  1  6  0  0  0
 26 31  1  0  0  0  0
 26 32  1  0  0  0  0
M  END
> <LM_ID>
LMPR02020059

> <COMMON_NAME>
beta-Tocopherol skeleton

> <SYSTEMATIC_NAME>


> <FORMULA>


> <MASS>
-

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WGVKWNUPNGFDFJ-DQCZWYHMSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0006335

> <CHEBI_ID>
47771

> <ABBREVIATION>
-

> <CAYMAN_ID>
26758

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6857447

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$