LMPR01070297
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
    5.7144    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8579    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2868    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0013    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4302    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5736    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2881    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1434    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3019    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1269    7.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  0  0  0  0
 19  4  2  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 22  1  0  0  0  0
 22  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6 10  1  0  0  0  0
 10  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 14  2  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 18  1  0  0  0  0
 18 17  2  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070297

> <COMMON_NAME>
14'-apo-beta-carotenal

> <SYSTEMATIC_NAME>
14'-apo-beta-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>
14'-apo-beta,psi-carotenal; 14'-apo-beta-Carotenal; 14'-apo-beta-carotenal; beta-apo-14'-carotenal

> <INCHI_KEY>
NGISIFNAHMKVQR-SSRYJDFZSA-N

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

> <SMILES>
C1CCC(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=O)=C1C

> <KEGG_ID>
C06734

> <HMDB_ID>
-

> <CHEBI_ID>
17457

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280992

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$