LMPR0106180029
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    7.4553    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4553    7.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    7.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3405    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1109    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9962    7.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9962    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1109    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813   10.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9962   10.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1109   10.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8295    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8517    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    9.8011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9962    9.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665    8.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6516    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6516   10.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665   10.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5368   10.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5368   11.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6516   12.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665   11.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813   11.2278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7665   10.0775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3381    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813   12.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8813    8.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1626   13.2415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1405   13.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3381    8.9158    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  1  0  0  0
  9 18  1  1  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 12 27  1  1  0  0  0
 22 28  1  6  0  0  0
 21 29  1  1  0  0  0
 26 30  1  6  0  0  0
 11 31  1  6  0  0  0
  2 32  1  1  0  0  0
 25 33  1  1  0  0  0
 25 34  1  6  0  0  0
 29 35  1  0     0  0
M  END
> <LM_ID>
LMPR0106180029

> <COMMON_NAME>
Taraxastane-3beta,20beta,28-triol

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H52O3

> <MASS>
460.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxastane, ursane and bauerane triterpenoids [PR010618]

> <SYNONYMS>


> <INCHI_KEY>
DGQPJVLUXGVGSA-HPUXEECSSA-N

> <INCHI>
InChI=1S/C30H52O3/c1-19-24-20-8-9-22-26(4)12-11-23(32)25(2,3)21(26)10-13-28(22,6)27(20,5)14-16-30(24,18-31)17-15-29(19,7)33/h19-24,31-33H,8-18H2,1-7H3/t19-,20+,21?,22?,23-,24+,26-,27+,28+,29-,30-/m0/s1

> <SMILES>
C1C[C@]2(C)C3CC[C@]4([H])[C@@]5([H])[C@H](C)[C@@](C)(O)CC[C@]5(CO)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121215

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2448053

> <CITATION>
11072894

$$$$