LMST01031216
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.7493   -9.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227   -9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227  -10.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7493  -11.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8759  -10.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8759   -9.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963   -9.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3697   -9.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3697  -10.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963  -11.0186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4962   -7.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3696   -7.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2431   -7.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2431   -9.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1165   -7.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9900   -7.9927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9901   -9.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1165   -6.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9899   -5.9755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2430   -5.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8633   -6.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7368   -5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6103   -6.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7368   -4.9668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6103   -7.4882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4837   -5.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6370   -7.2363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963   -9.6318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227  -11.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6227   -7.4886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3568   -8.7531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4963  -12.0272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0025  -11.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7107   -8.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3309   -6.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2681   -9.6514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  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
 14  8  1  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  2  0     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
 15 27  1  6     0  0
  7 28  1  6     0  0
  3 29  1  6     0  0
 11 30  1  6     0  0
  8 31  1  1     0  0
 10 32  1  1     0  0
  5 33  1  1     0  0
  2 34  1  1     0  0
 13 35  1  1     0  0
 14 36  1  6     0  0
M  END
> <LM_ID>
LMST01031216

> <COMMON_NAME>
Ehrensteroid A

> <SYSTEMATIC_NAME>
24-methylcholest-24(28)-ene-3beta,5alpha,6beta,11alpha-tetraol

> <FORMULA>
C28H48O4

> <MASS>
448.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CMFURINKGNDZMC-LIIYEYLVSA-N

> <INCHI>
InChI=1S/C28H48O4/c1-16(2)17(3)7-8-18(4)21-9-10-22-20-13-24(31)28(32)14-19(29)11-12-27(28,6)25(20)23(30)15-26(21,22)5/h16,18-25,29-32H,3,7-15H2,1-2,4-6H3/t18-,19+,20+,21-,22+,23-,24-,25-,26-,27-,28+/m1/s1

> <SMILES>
C1C[C@H](O)C[C@]2(O)[C@H](O)C[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=C)C(C)C)[C@@]4(C)C[C@@H](O)[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120125

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
358800

> <CITATION>
34662651

$$$$