LMST01110013
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    6.8835    6.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    6.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087    5.4474    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8835    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    5.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4330    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2080    5.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2080    6.3421    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4330    6.7895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6582    6.3421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4330    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2080    8.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829    7.6842    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9829    6.7895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5327    6.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5327    7.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7579    8.1315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9829    8.3776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6582    6.9686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7579    8.8474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0291    9.0425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3776    9.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2371    8.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8571    9.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2371    8.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2596    8.4213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7579    9.6105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2080    7.1026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4161    6.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829    6.0953    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6222    9.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1482   10.3890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9975    8.8474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6173    9.2051    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1382    9.8218    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0709    8.1865    0.0000 H   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  2  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 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  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  1  6  0  0  0
 17 26  1  6  0  0  0
 20 27  1  1  0  0  0
  3 28  1  1  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 35 32  1  0  0  0  0
 32 33  1  0  0  0  0
 34 23  1  0  0  0  0
 34 37  1  6  0  0  0
 35 36  1  1  0  0  0
M  END
> <LM_ID>
LMST01110013

> <COMMON_NAME>
Nicasterol

> <SYSTEMATIC_NAME>
(24S)-23S,25-cyclostigmast-5-en-3beta-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HRNVWBIKQMSFHI-XWFIMXOTSA-N

> <INCHI>
InChI=1S/C29H48O/c1-7-22-26(27(22,3)4)16-18(2)23-10-11-24-21-9-8-19-17-20(30)12-14-28(19,5)25(21)13-15-29(23,24)6/h8,18,20-26,30H,7,9-17H2,1-6H3/t18-,20+,21+,22+,23-,24+,25+,26+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)C[C@]5([H])C(C)(C)[C@@]5([H])CC)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14680447

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2025859

> <CITATION>
-

$$$$