LMPR01070560
  LIPID_MAPS_STRUCTURE_DATABASE

 41 41  0     0  0            999 V2000
    0.7007  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7007  -12.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507  -12.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505  -12.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4505  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5507  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9001  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6499  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3996  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0994  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9993  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6992  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5990  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4489  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2988  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507   -9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0505   -9.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005  -12.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1986  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0486  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2988  -12.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8492  -12.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0502   -9.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4998   -9.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8984  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7984  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6482  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7984  -12.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4981  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3480  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1979  -11.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0478  -10.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1979  -12.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9503  -11.2931    0.0000 O   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  2  0     0  0
  5  6  1  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
  6 23  1  0     0  0
  6 24  1  0     0  0
  4 25  1  0     0  0
 22 26  1  0     0  0
 26 27  2  0     0  0
 22 28  1  0     0  0
 18 29  1  0     0  0
  9 30  1  0     0  0
 13 31  1  0     0  0
 27 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 33 35  1  0     0  0
 34 36  2  0     0  0
 36 37  1  0     0  0
 37 38  2  0     0  0
 38 39  1  0     0  0
 38 40  1  0     0  0
 39 41  2  0     0  0
M  END
> <LM_ID>
LMPR01070560

> <COMMON_NAME>
Torularhodinaldehyde

> <SYSTEMATIC_NAME>
3',4'-Didehydro-beta,psi-caroten-16'-al

> <FORMULA>
C40H52O

> <MASS>
548.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IAEFJGPZEPGPGJ-HMHVFHPLSA-N

> <INCHI>
InChI=1S/C40H52O/c1-32(19-12-21-34(3)22-13-23-35(4)24-15-26-37(6)31-41)17-10-11-18-33(2)20-14-25-36(5)28-29-39-38(7)27-16-30-40(39,8)9/h10-15,17-26,28-29,31H,16,27,30H2,1-9H3/b11-10+,19-12+,20-14+,22-13+,24-15+,29-28+,32-17+,33-18+,34-21+,35-23+,36-25+,37-26+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20056893

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
91979; 89913

> <CITATION>
17597170

$$$$