LMPR01070472
  LIPID_MAPS_STRUCTURE_DATABASE

 41 40  0     0  0            999 V2000
    3.9381   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6716   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4053   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2721   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1389   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8725   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7393   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6062   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4730   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3397   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2066   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0735   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9403   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8070   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6738   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384   -8.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0057   -8.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3397  -10.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8070  -10.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2043   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3374   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2629   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0712   -8.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3962   -8.4665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5181   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3850   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2518   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1186   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9855   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.8522   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7190   -9.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5859   -9.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2518  -10.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7190  -10.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8576   -7.9741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  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
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 18  1  0     0  0
  4 19  1  0     0  0
  8 20  1  0     0  0
 13 21  1  0     0  0
 17 22  1  0     0  0
  1 23  2  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 23 29  1  0     0  0
 27 30  1  0     0  0
 18 31  2  0     0  0
 31 32  1  0     0  0
 32 33  2  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  2  0     0  0
 37 38  1  0     0  0
 33 39  1  0     0  0
 37 40  1  0     0  0
 20 41  2  0     0  0
M  END
> <LM_ID>
LMPR01070472

> <COMMON_NAME>
3,4-Didehydro-1,2-dihydrolycopen-20-al

> <SYSTEMATIC_NAME>
3,4-Didehydro-1,2-dihydro-psi,psi-caroten-20-al

> <FORMULA>
C40H54O

> <MASS>
550.42

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RVITUWWAPCDXAD-BUHXKAACSA-N

> <INCHI>
InChI=1S/C40H54O/c1-33(2)18-12-21-36(6)24-15-27-38(8)26-14-23-35(5)20-10-11-30-40(32-41)31-17-29-39(9)28-16-25-37(7)22-13-19-34(3)4/h10-11,13-18,20,22-32,34H,12,19,21H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,31-17+,35-20+,36-24+,37-25+,38-26+,39-29+,40-30-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
87443526

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1079

> <CITATION>
-

$$$$