LMPR01090055
  LIPID_MAPS_STRUCTURE_DATABASE

 23 24  0     0  0            999 V2000
    7.8092    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8092    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    6.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3509    9.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7740    8.8055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5578    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4322    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1808    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0552    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9295    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8039    7.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6782    8.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5526    7.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9295    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4322    9.3895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6782    9.3895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    7.3702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  9  1  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 15  1  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22 17  2  0  0  0  0
 23  2  1  0  0  0  0
  8  1  1  0  0  0  0
M  END
> <LM_ID>
LMPR01090055

> <COMMON_NAME>
all-trans-5,6-Epoxyretinoic acid

> <SYSTEMATIC_NAME>
(2E,4E,6E,8E)-3,7-dimethyl-9-{2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}nona-2,4,6,8-tetraenoic acid

> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KEEHJLBAOLGBJZ-WEDZBJJJSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-15(8-6-9-16(2)14-17(21)22)10-13-20-18(3,4)11-7-12-19(20,5)23-20/h6,8-10,13-14H,7,11-12H2,1-5H3,(H,21,22)/b9-6+,13-10+,15-8+,16-14+

> <SMILES>
C12(OC1(C)CCCC2(C)C)/C=C/C(/C)=C/C=C/C(/C)=C/C(=O)O

> <KEGG_ID>
C16680

> <HMDB_ID>
HMDB0012451

> <CHEBI_ID>
80658

> <ABBREVIATION>
-

> <CAYMAN_ID>
22124

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5363137

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
7056740

$$$$