LMPR01070471
  LIPID_MAPS_STRUCTURE_DATABASE

 41 40  0     0  0            999 V2000
    6.4164  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2832  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1499  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0166  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8834  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7502  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6169  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4836  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3504  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2172  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0839  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9507  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8173  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6842  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5509  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4177  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2844  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1511  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0166   -9.2163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4836   -9.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8173  -11.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2844  -11.7185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6829  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8161  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2159  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   -9.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826   -9.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9953  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8621  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7288  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5956  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4624  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3291  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1959  -10.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0625  -10.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7288  -11.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1959  -11.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3605  -10.2237    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  2  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
 28 41  2  0     0  0
M  END
> <LM_ID>
LMPR01070471

> <COMMON_NAME>
3,4-Dehydrolycopen-16-al

> <SYSTEMATIC_NAME>
3,4-Didehydro-psi,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>
FPLASDSFNINBIY-NXUFVKJASA-N

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

> <SMILES>
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=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>
87443986

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
45834

> <CITATION>
-

$$$$