LMPR0106010033
  LIPID_MAPS_STRUCTURE_DATABASE

 32 31  0  0  0  0  0  0  0  0999 V2000
   14.3107    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0186    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7306    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0228    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919    6.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4428    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6799    6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3919    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1507    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9720    6.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8627    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5706    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8627    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520    6.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2827    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8399    6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5520    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9907    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1320    6.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7028    6.2522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4199    6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4106    6.6627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7028    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7121    6.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7121    7.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8266    6.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5450    6.2066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0999    6.2317    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.0999    5.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8111    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
 30  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1  2  2  0  0  0  0
 30 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29  1  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106010033

> <COMMON_NAME>
11-hydroperoxy-squalene

> <SYSTEMATIC_NAME>
11-hydroperoxy-10-methylene-2,6,15,19,23-pentamethyltetracosa-2,6E,14E,18E,22-pentaene 

> <FORMULA>
C30H50O2

> <MASS>
442.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Acyclic triterpenoids [PR010601]

> <SYNONYMS>
11-OOH-SQ

> <INCHI_KEY>
LAGZPEHMEUMDAM-JSFDVHLOSA-N

> <INCHI>
InChI=1S/C30H50O2/c1-24(2)14-9-16-26(5)18-11-19-28(7)21-13-23-30(32-31)29(8)22-12-20-27(6)17-10-15-25(3)4/h14-15,18,20-21,30-31H,8-13,16-17,19,22-23H2,1-7H3/b26-18+,27-20+,28-21+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52929828

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
20714817

$$$$