LMPR0106010002
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0  0  0  0  0  0  0  0999 V2000
    7.7534    8.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7534    7.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9025    8.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7444    9.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6086    6.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    8.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4637    7.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0651    7.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4595    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9025    6.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6041    8.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4505    8.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5928    6.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5953    9.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4505   10.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3191    9.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3191    8.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1834    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3413    7.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519    8.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0474    9.5128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1834   10.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1788   11.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1854   10.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519   11.5263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9294   11.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9428   10.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9428    9.0397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7891   10.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  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
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106010002

> <COMMON_NAME>
Squalene

> <SYSTEMATIC_NAME>
2,6,10,15,19,23-hexamethyltetracosa-2,6E,10E,14E,18E,22-hexaene

> <FORMULA>
C30H50

> <MASS>
410.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Acyclic triterpenoids [PR010601]

> <SYNONYMS>
Spinacene

> <INCHI_KEY>
YYGNTYWPHWGJRM-AAJYLUCBSA-N

> <INCHI>
InChI=1S/C30H50/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/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+

> <SMILES>
C(C)(CCC=C(C)C)=CCC/C(/C)=C/CCC=C(C)CCC=C(C)CCC=C(C)C

> <KEGG_ID>
C00751

> <HMDB_ID>
HMDB00256

> <CHEBI_ID>
15440

> <ABBREVIATION>
-

> <CAYMAN_ID>
27058

> <SWISSLIPIDS_ID>
SLM:000000309

> <PUBCHEM_COMPOUND_ID>
5280370

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
30511

> <CITATION>
-

$$$$