LMPR01070131
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0     0  0            999 V2000
    6.0605    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8379    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7585    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5891    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5063    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3501    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3501    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2207    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0812    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3827    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5219    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9652    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8293    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8293    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7031    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5738    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4175    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2916    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1756    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0462    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1756    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9135    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6515    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6515    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7674    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1506    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1506    7.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2999    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9677    7.5615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 23 26  1  0  0  0  0
 12 24  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 11 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPR01070131

> <COMMON_NAME>
4,4'-Diapophytoene

> <SYSTEMATIC_NAME>
(6E,10E,12E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,12,14,18,22-heptaene

> <FORMULA>
C30H48

> <MASS>
408.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Dehydrosqualene

> <INCHI_KEY>
NXJJBCPAGHGVJC-MAYJZIKRSA-N

> <INCHI>
InChI=1S/C30H48/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,15-18,23-24H,11-14,19-22H2,1-8H3/b10-9+,27-17+,28-18+,29-23+,30-24+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
62737

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5377880

> <LIPIDBANK_ID>
VCA1049

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28064; 1280

> <CITATION>
9843979; 8002598

$$$$