LMPR01090008
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7136    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    5.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7136    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2450    7.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1430    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8577    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5724    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2871    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0019    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7166    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4313    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4313    7.4742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    6.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8596    6.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5743    6.2365    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  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
M  END
> <LM_ID>
LMPR01090008

> <COMMON_NAME>
All-Trans-3,4-Didehydro Retinol

> <SYSTEMATIC_NAME>
3,4-didehydro-retinol

> <FORMULA>
C20H28O

> <MASS>
284.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWCYDHJOKKGVHC-OVSJKPMPSA-N

> <INCHI>
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6-13,21H,14-15H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

> <SMILES>
C1C(C)(C)C(/C=C/C(=C/C=C/C(=C/CO)/C)/C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0013117

> <CHEBI_ID>
132246

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6436043

> <LIPIDBANK_ID>
VVA0002

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$