LMPR02020076
  LIPID_MAPS_STRUCTURE_DATABASE

 33 34  0     0  0            999 V2000
    7.4396    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4396    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053    7.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1691    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053    9.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    7.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8971    7.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8971    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0347    9.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053   10.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5724    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3053    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8971    9.5611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7636    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6303    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4968    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3634    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2299    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0964    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9630    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8296    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6961    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5627    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4293    9.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2958    8.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6224    7.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3299    7.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3293    7.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8631    7.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3035    7.5933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.1855    9.0901    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
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  9 15  1  1  0  0  0
 16  9  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
 27 26  1  0  0  0  0
 19 28  1  1  0  0  0
 23 29  1  1  0  0  0
 23 30  1  6  0  0  0
 19 31  1  6  0  0  0
 27 32  1  0  0  0  0
 27 33  2  0  0  0  0
M  END
> <LM_ID>
LMPR02020076

> <COMMON_NAME>
alpha-carboxydimethyldecylhydroxychroman

> <SYSTEMATIC_NAME>
(5S,9R)-5-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-5,9-dimethyldodecanoic acid

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CDMDHC

> <INCHI_KEY>
OIVWJWRMDQBTTG-DSNGTPCMSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-18(12-8-14-24(28)29)10-7-11-19(2)13-9-16-27(6)17-15-23-22(5)25(30)20(3)21(4)26(23)31-27/h18-19,30H,7-17H2,1-6H3,(H,28,29)/t18-,19+,27+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119209

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
22952181

$$$$