LMPR0106010038
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0     0  0            999 V2000
    0.0470   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0412    1.4212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394    0.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479   -0.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491    0.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9455   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479   -2.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0470   -1.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278   -0.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -0.6538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -1.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278   -2.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4734    0.3441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4492    0.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6278   -3.2148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7407   -2.7025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6174   -2.4553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5394   -1.6781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8424   -0.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8424    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    1.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6456    2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    2.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8424    2.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369    0.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4682    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8300    1.7013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5832   -0.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5394    1.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2157    3.2148    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  2  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  1  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  7 15  1  0     0  0
  1 16  1  0     0  0
 14 17  1  0     0  0
 14 18  1  0     0  0
 14 19  1  1     0  0
 13 19  1  1     0  0
 13 20  1  6     0  0
  6 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  2  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 24  1  0     0  0
 25 29  1  0     0  0
 25 30  1  0     0  0
 24 31  1  0     0  0
  6 32  1  0     0  0
 26 33  1  6     0  0
 25 33  1  6     0  0
 26 34  1  1     0  0
M  END
> <LM_ID>
LMPR0106010038

> <COMMON_NAME>
Diepoxysqualene

> <SYSTEMATIC_NAME>
2,3S:22S,23-diepoxysqualene

> <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>


> <INCHI_KEY>
KABSNIWLJXCBGG-OQSIWNGOSA-N

> <INCHI>
InChI=1S/C30H50O2/c1-23(15-11-17-25(3)19-21-27-29(5,6)31-27)13-9-10-14-24(2)16-12-18-26(4)20-22-28-30(7,8)32-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b23-13+,24-14+,25-17+,26-18+/t27-,28-/m0/s1

> <SMILES>
C(/C)(\CC/C=C(\C)/CC[C@]1([H])O[C@@]1(C)C)=C/CC/C=C(\C)/CC/C=C(\C)/CC[C@]1([H])O[C@]1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
138307

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92449689

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$