LMST01080028
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.9410    7.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9410    5.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    6.0278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    6.8282    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3275    7.2285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6341    6.8282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0206    8.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    8.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7139    7.2285    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1006    7.2285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1006    8.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4072    8.4292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7139    8.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6341    7.3889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0206    7.5086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3123    6.5553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7139    6.6074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7938    8.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4072    9.2299    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9444    9.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2655   10.0516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7863    9.2216    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7078    9.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6347    9.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1924    9.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2477    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5546    5.6274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6341    6.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6341    5.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1139   10.0718    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7659    9.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3275    5.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2477    6.8282    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3275    8.0290    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6342    8.4293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
 33 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28 32  1  0  0  0  0
 32  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 35  1  0  0  0  0
 35  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 11  1  0  0  0  0
 11 12  1  0  0  0  0
  1  6  1  0  0  0  0
 28  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  1  6  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 30 25  1  0  0  0  0
 25 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 18  1  0  0  0  0
 26 27  1  6  0  0  0
 28 29  1  1  0  0  0
 30 24  1  1  0  0  0
 30 31  1  0  0  0  0
 33 34  1  1  0  0  0
 35 36  1  6  0  0  0
M  END
> <LM_ID>
LMST01080028

> <COMMON_NAME>
Epimetagenin

> <SYSTEMATIC_NAME>
(25R)-5beta-spirostan-2beta,3alpha,11alpha-triol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RYCUBFVMMAWZKH-AYYTVHOKSA-N

> <INCHI>
InChI=1S/C27H44O5/c1-14-7-8-27(31-13-14)15(2)23-22(32-27)10-18-17-6-5-16-9-19(28)20(29)11-25(16,3)24(17)21(30)12-26(18,23)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15+,16-,17+,18+,19+,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])[C@H](O)C[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)[C@H]1O)CC[C@@H](C)CO6)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931441

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1112727

> <CITATION>
-

$$$$