LMPR01090033
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    6.0606    7.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9255    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7918    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7918    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9269    8.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2827    9.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5695    9.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    8.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6579    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5242    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    8.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    9.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1231    8.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9893    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    8.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8555    9.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7218    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9893    9.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9893   10.8594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1231    9.3593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7218    9.8609    0.0000 C   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
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 18 23  1  0  0  0  0
M  END
> <LM_ID>
LMPR01090033

> <COMMON_NAME>
14-methyl-20,14-retro-retinoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H30O2

> <MASS>
314.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
Retinoids [PR0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JVNZTBXNNSQXJS-FGKSVAIXSA-N

> <INCHI>
InChI=1S/C21H30O2/c1-15(9-7-10-16(2)18(4)20(22)23)12-13-19-17(3)11-8-14-21(19,5)6/h7,9-10,12-13,18H,2,8,11,14H2,1,3-6H3,(H,22,23)/b10-7+,13-12+,15-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197177

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15125877

> <LIPIDBANK_ID>
VVA0032

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
1738149

$$$$