LMPR02020077
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0     0  0            999 V2000
    7.4405    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4405    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063    7.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1703    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1703    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063    9.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    7.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8985    7.5608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8985    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0360    9.0603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063   10.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5732    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7333    6.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063    6.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8985    9.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7651    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6319    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4985    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3652    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2318    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0984    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9651    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8318    8.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6985    9.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5652    8.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6242    7.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3322    7.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3315    7.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8648    7.6950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6985   10.0622    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
 19 26  1  1  0  0  0
 23 27  1  1  0  0  0
 23 28  1  6  0  0  0
 19 29  1  6  0  0  0
 24 30  2  0     0  0
M  END
> <LM_ID>
LMPR02020077

> <COMMON_NAME>
alpha-carboxydimethyloctylhydroxychroman

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

> <FORMULA>
C24H38O4

> <MASS>
390.28

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
CDMOHC

> <INCHI_KEY>
CUGVBZDXUTZXJO-JRLRZGBRSA-N

> <INCHI>
InChI=1S/C24H38O4/c1-15(9-7-11-16(2)23(26)27)10-8-13-24(6)14-12-20-19(5)21(25)17(3)18(4)22(20)28-24/h15-16,25H,7-14H2,1-6H3,(H,26,27)/t15-,16+,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119210

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
22952181

$$$$