LMST02030211
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.0369    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293    7.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3293    6.4727    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4515    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445    7.2895    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4515    8.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    8.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8663    8.5146    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8663    7.6978    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8663    9.1478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445    7.8613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    7.2895    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2810    8.5146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2810    7.6978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    6.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4515    6.0641    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7445    6.4727    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0369    6.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4515    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1591    8.1062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8663    6.8812    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7445    5.6560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8663   10.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6313   10.5813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5737    8.9230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2810    9.3314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5737    9.7398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2810   10.1482    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 19  1  0  0  0  0
 18 19  1  0  0  0  0
 17 16  1  0  0  0  0
 13 16  1  0  0  0  0
  4 13  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 15  1  0  0  0  0
 15 14  1  0  0  0  0
 26 14  1  0  0  0  0
  5  1  1  0  0  0  0
  5 18  1  0  0  0  0
  4  5  1  0  0  0  0
 13  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 22  1  6  0  0  0
  3 12  1  1  0  0  0
 13 21  1  1  0  0  0
 18 17  1  0  0  0  0
 17 20  1  6  0  0  0
 18 23  1  6  0  0  0
 26 28  1  0  0  0  0
 28 24  1  6  0  0  0
 28 25  1  1  0  0  0
 26 27  1  6  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMST02030211

> <COMMON_NAME>
Asterogenol

> <SYSTEMATIC_NAME>
5alpha-pregn-9(11)-en-3beta,6alpha,20R-triol

> <FORMULA>
C21H34O3

> <MASS>
334.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCGDFVUIBHDDNK-JMGMBTOPSA-N

> <INCHI>
InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h7,12-16,18-19,22-24H,4-6,8-11H2,1-3H3/t12-,13+,14+,15-,16+,18-,19+,20-,21-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193210

> <ABBREVIATION>
ST 21:1;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3086044

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7603

> <CITATION>
-

$$$$