LMST01110020
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.5239    8.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6031    6.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5239    6.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    6.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3659    6.1171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2872    6.6489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2872    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3659    8.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    7.7123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3659    9.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2872    9.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    9.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    8.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0502    8.2442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0502    9.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1291    9.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080   10.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450    8.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1291   10.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3630   11.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8658   11.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6027   10.6902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2872    8.6165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2080    7.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7255   10.1838    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3659    7.4366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7954    6.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3394   12.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3394   11.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1813   11.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1023   10.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2604   10.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2604   11.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4574    6.0219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2873   10.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8657   12.1157    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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 30  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  2  0  0  0  0
  8 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
  9 27  1  6  0  0  0
  3 28  2  0  0  0  0
 30 29  1  1  0  0  0
 30 33  1  0  0  0  0
 33 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  1     0  0
 33 34  1  1     0  0
  5 35  1  6     0  0
 12 36  1  1     0  0
 22 37  2  0     0  0
M  END
> <LM_ID>
LMST01110020

> <COMMON_NAME>
Aragusterol D

> <SYSTEMATIC_NAME>
(25R)-24R,26R-dimethyl-26,27-cyclo-12beta-hydroxy-5-alpha-cholest-20-en-3,22-dione

> <FORMULA>
C29H44O3

> <MASS>
440.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Calysterols and cyclopropyl sidechain derivatives [ST0111]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZBIUJNBNGDFYLA-VHDLUNJYSA-N

> <INCHI>
InChI=1S/C29H44O3/c1-16-12-22(16)17(2)13-26(31)18(3)23-8-9-24-21-7-6-19-14-20(30)10-11-28(19,4)25(21)15-27(32)29(23,24)5/h16-17,19,21-25,27,32H,3,6-15H2,1-2,4-5H3/t16-,17-,19+,21+,22-,23-,24+,25+,27-,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@@]([H])(C(=C)C(=O)C[C@H]([C@@H]5C[C@H]5C)C)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10071966

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627677

> <CITATION>
-

$$$$