LMST01060048
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0     0  0            999 V2000
    8.2536    8.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    7.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3063    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2536    6.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    6.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    6.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    7.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    8.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    7.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1479    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    9.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0424    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0424    8.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9371    8.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9371    9.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9898    9.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0424   10.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    8.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9898   10.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0990   11.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7477   11.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5055   10.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2631   11.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0210   10.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7789   11.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0210   10.0940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6032   10.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6285    6.2851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2616   11.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4318   11.6885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2006    5.5825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9460    6.1851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850    7.5208    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  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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  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  2  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 28  1  6  0  0  0
  3 29  1  1  0  0  0
 24 30  1  6  0  0  0
 22 31  1  1  0  0  0
 23 31  1  1  0  0  0
  5 32  1  6     0  0
  6 32  1  6     0  0
  7 33  1  6     0  0
  9 34  1  6     0  0
M  END
> <LM_ID>
LMST01060048

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha,6alpha-epoxy-23-demethylgorgosta-8(14)-ene-3beta,7alpha-diol

> <FORMULA>
C29H46O3

> <MASS>
442.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Gorgosterols and derivatives [ST0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVZADIAJWOYZDW-SISQHYFISA-N

> <INCHI>
InChI=1S/C29H46O3/c1-15(2)16(3)19-13-20(19)17(4)21-7-8-22-24-23(10-11-27(21,22)5)28(6)12-9-18(30)14-29(28)26(32-29)25(24)31/h15-21,23,25-26,30-31H,7-14H2,1-6H3/t16-,17-,18+,19-,20-,21-,23+,25+,26+,27-,28-,29+/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C)[C@H]5C[C@@H]5[C@H](C)C(C)C)CCC4=C3[C@H](O)[C@@H]3O[C@@]32C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132529869

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
308461

> <CITATION>
35031429

$$$$