LMPR01071068
  LIPID_MAPS_STRUCTURE_DATABASE

 29 28  0     0  0            999 V2000
    3.6735  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4134  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1534  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0234  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8934  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6333  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5033  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3733  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2433  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1133  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9833  -12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8532  -12.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0234  -11.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1534  -13.9192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5033  -11.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9833  -11.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7047  -12.4228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5538  -12.9128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4098  -12.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2629  -12.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1169  -12.4169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2633  -13.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9710  -12.9098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5434  -11.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6735  -11.9101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4013  -10.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
  6 16  1  0     0  0
  5 17  2  0     0  0
 10 18  1  0     0  0
 14 19  1  0     0  0
 15 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 24 26  2  0     0  0
  2 27  1  0     0  0
  2 28  1  0     0  0
 27 29  1  0     0  0
M  END
> <LM_ID>
LMPR01071068

> <COMMON_NAME>
Thiothece-425

> <SYSTEMATIC_NAME>
1-Methoxy-4-oxo-1,2-dihydro-12'-apo-psi-caroten-12'-al

> <FORMULA>
C26H36O3

> <MASS>
396.27

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C40 isoprenoids (tetraterpenes) [PR0107]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UPQWPKXSLBUERR-IATSONSVSA-N

> <INCHI>
InChI=1S/C26H36O3/c1-21(12-8-9-13-23(3)20-27)14-10-15-22(2)16-11-17-24(4)25(28)18-19-26(5,6)29-7/h8-17,20H,18-19H2,1-7H3/b9-8+,14-10+,16-11+,21-12+,22-15+,23-13+,24-17+

> <SMILES>
CC(C)(OC)CCC(=O)/C(/C)=C/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87444077

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
46450

> <CITATION>
4635689

$$$$