LMPR0106030001
  LIPID_MAPS_STRUCTURE_DATABASE

 30 29  0  0  0  0  0  0  0  0999 V2000
    6.0606    7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9263    7.5339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    7.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6578    7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5236    7.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3893    7.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2550    7.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1209    7.5491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9866    7.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8524    7.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7181    7.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5839    7.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4496    7.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3154    7.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1811    7.0681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0469    7.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9126    7.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7783    7.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6441    7.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5098    7.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3756    7.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2413    7.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3704    6.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9148    6.0707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4518    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3872    8.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9241    8.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8502    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8473    6.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7130    9.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  4  5  1  0  0  0  0
 18 19  1  0  0  0  0
  9 10  1  0  0  0  0
 19 20  1  0  0  0  0
  2  3  1  0  0  0  0
 20 21  1  0  0  0  0
 10 11  1  0  0  0  0
 21 22  1  0  0  0  0
  5  6  1  0  0  0  0
 21 23  1  0  0  0  0
 11 12  1  0  0  0  0
 17 24  1  0  0  0  0
  1  2  1  0  0  0  0
 13 25  1  0  0  0  0
 12 13  1  0  0  0  0
  6 26  1  0  0  0  0
  6  7  1  0  0  0  0
  2 27  1  0  0  0  0
 13 14  1  0  0  0  0
 10 28  1  0  0  0  0
  3  4  1  0  0  0  0
 10 29  1  0  0  0  0
 14 15  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106030001

> <COMMON_NAME>
Botryococcane

> <SYSTEMATIC_NAME>
10-ethyl-2,6,10,13,17,21-hexamethyl-docosane

> <FORMULA>
C30H62

> <MASS>
422.49

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Botryococcene triterpenoids [PR010603]

> <SYNONYMS>


> <INCHI_KEY>
BMQOPLQIXUYINH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H62/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h25-29H,10-24H2,1-9H3

> <SMILES>
CC(C)CCCC(CCCC(C)(CC)CCC(CCCC(C)CCCC(C)C)C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14432021

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
38881

> <CITATION>
-

$$$$