LMPR01071065
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   12.2025  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0684  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9346  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8006  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6666  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5328  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3988  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2649  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1309  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9970  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8630  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7291  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8006  -13.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2649  -13.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3363  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4702  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6042  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7381  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720  -14.6517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0060  -15.1517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3363  -13.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8720  -13.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5950  -15.1518    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
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  4 13  1  0  0  0  0
  8 14  1  0  0  0  0
  1 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 12 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR01071065

> <COMMON_NAME>
Apo-14'-lycopenal

> <SYSTEMATIC_NAME>
14'-Apo-psi-caroten-14'-al

> <FORMULA>
C22H30O

> <MASS>
310.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GIKHYDJRGRLGLM-UBSLRWKGSA-N

> <INCHI>
InChI=1S/C22H30O/c1-19(2)11-8-13-21(4)15-10-17-22(5)16-9-14-20(3)12-6-7-18-23/h6-7,9-12,14-18H,8,13H2,1-5H3/b7-6+,14-9+,17-10+,20-12+,21-15+,22-16+

> <SMILES>
C(=C(/C)\CC/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>
57338879

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606; 4081

> <CITATION>
20178389; 20178389

$$$$