LMPR01071036
  LIPID_MAPS_STRUCTURE_DATABASE

 40 41  0     0  0            999 V2000
    0.5701  -12.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5701  -13.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305  -13.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2909  -13.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2909  -12.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305  -11.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1691  -11.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1646  -13.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1289  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7101  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5705  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2915  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1518  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0124  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8727  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7331  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5936  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4540  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3144  -10.7254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1749  -11.2222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1749  -12.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7331  -12.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892   -9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4310   -9.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4305  -10.7412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2997  -11.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0330  -10.7269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9017  -11.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7462  -10.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6024  -11.2359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4710  -10.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4713   -9.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6151   -9.2373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7464   -9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8659   -9.2296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6023  -12.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3527  -11.2441    0.0000 C   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
  1  6  2  0     0  0
  5  7  1  0     0  0
  4  8  1  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
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 19 25  1  0     0  0
 10 26  1  0     0  0
 14 27  1  0     0  0
  7  9  3  0     0  0
  6 28  1  0     0  0
  1 29  1  0     0  0
 23 30  1  0     0  0
 30 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  2  0     0  0
 35 36  1  0     0  0
 36 37  2  0     0  0
 32 37  1  0     0  0
 37 38  1  0     0  0
 33 39  1  0     0  0
 34 40  1  0     0  0
M  END
> <LM_ID>
LMPR01071036

> <COMMON_NAME>
7,8-Didehydroisorenieratene

> <SYSTEMATIC_NAME>
7,8-Didehydro-phi,phi-carotene

> <FORMULA>
C40H46

> <MASS>
526.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MUZFPVKGPJJKLE-AXIWXHPASA-N

> <INCHI>
InChI=1S/C40H46/c1-29(17-13-19-31(3)21-27-39-35(7)25-23-33(5)37(39)9)15-11-12-16-30(2)18-14-20-32(4)22-28-40-36(8)26-24-34(6)38(40)10/h11-21,23-27H,1-10H3/b12-11+,17-13+,18-14+,27-21+,29-15+,30-16+,31-19+,32-20+

> <SMILES>
C1(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/C2C(C)=CC=C(C)C=2C)\C)=C(C)C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10007100

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6062

> <CITATION>
-

$$$$