LMPR01090012
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    5.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    5.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4288    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7139    6.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1834    7.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2454    7.5259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1437    5.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5736    7.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2886    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0035    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7184    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    7.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1483    6.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8621    6.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5770    6.4808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2908    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0035    6.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2918    7.7153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  5  9  1  0  0  0  0
  4 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
M  END
> <LM_ID>
LMPR01090012

> <COMMON_NAME>
Retinol Acetate/All-trans-retinyl Acetate

> <SYSTEMATIC_NAME>
Retinyl acetate

> <FORMULA>
C22H32O2

> <MASS>
328.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QGNJRVVDBSJHIZ-QHLGVNSISA-N

> <INCHI>
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+

> <SMILES>
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C)=C(C)CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
32095

> <ABBREVIATION>
-

> <CAYMAN_ID>
20242

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
638034

> <LIPIDBANK_ID>
VVA0007

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$