LMPR02020073
  LIPID_MAPS_STRUCTURE_DATABASE

 19 20  0     0  0            999 V2000
    7.5960    7.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960    6.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    5.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3345    6.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3345    7.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    7.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2044    5.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0712    6.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0712    7.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2044    7.9274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4660    8.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    5.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0712    8.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9421    7.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8133    7.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6842    7.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7376    7.9217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5503    7.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6841    8.9291    0.0000 O   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
  1 17  1  0  0  0  0
 16 18  1  0     0  0
 16 19  2  0     0  0
M  END
> <LM_ID>
LMPR02020073

> <COMMON_NAME>
LLU-alpha

> <SYSTEMATIC_NAME>
(2S)-2,7,8-Trimethyl-6-hydroxychroman-2-propanoic acid

> <FORMULA>
C15H20O4

> <MASS>
264.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VMJQLPNCUPGMNQ-HNNXBMFYSA-N

> <INCHI>
InChI=1S/C15H20O4/c1-9-10(2)14-11(8-12(9)16)4-6-15(3,19-14)7-5-13(17)18/h8,16H,4-7H2,1-3H3,(H,17,18)/t15-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9881728

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
8650209

$$$$