LMPR02020053
  LIPID_MAPS_STRUCTURE_DATABASE

 30 32  0     0  0            999 V2000
   11.7581    8.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7581    7.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6381    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5163    7.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5163    8.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6381    8.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3963    6.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2728    7.2730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2728    8.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3963    8.7973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6381    9.8145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8765    8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0668    6.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2728    9.3075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1539    8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0347    8.2904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9158    8.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7966    8.2904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9158    9.7891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0654    5.0565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0868    5.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    6.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5886    7.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1411    8.3245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0797    6.7685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5790    5.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5873    5.9238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1010    6.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6017    7.6357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1153    8.4946    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
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  9 14  1  0  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  2  0  0  0  0
 17 19  1  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 13  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPR02020053

> <COMMON_NAME>
gamma-CEHC Glc

> <SYSTEMATIC_NAME>
gamma-carboxyethyl-hydroxychroman beta-D-glucoside

> <FORMULA>
C21H30O9

> <MASS>
426.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Quinones and hydroquinones [PR02]

> <SUB_CLASS>
Vitamin E [PR0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PZTKNFACMQBZBL-CTAUWVKESA-N

> <INCHI>
InChI=1S/C21H30O9/c1-10-11(2)19-12(4-6-21(3,30-19)7-5-15(23)24)8-13(10)28-20-18(27)17(26)16(25)14(9-22)29-20/h8,14,16-18,20,22,25-27H,4-7,9H2,1-3H3,(H,23,24)/t14-,16-,17+,18-,20-,21?/m1/s1

> <SMILES>
C1(C)=C(C)C2OC(CCC(O)=O)(C)CCC=2C=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102480301

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
19141872

$$$$