LMST02030206
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.0107    6.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    6.2838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2879    5.4445    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0107    5.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107    5.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4260    5.0321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107    6.2838    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4260    7.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1571    7.9093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8570    7.4892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8570    6.6807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6420    6.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1085    7.0772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6420    7.7458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.8570    8.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7107    7.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8570    5.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3654    8.1504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4260    6.6807    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4260    5.8550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1571    6.2838    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1571    7.1094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1571    5.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7452    8.7173    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9184    9.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0302    9.1301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5427    8.9309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0  0  0  0
 14 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  1  0  0  0
 22 11  1  0  0  0  0
 12 11  1  0  0  0  0
 11 17  1  6  0  0  0
  8 20  1  0  0  0  0
  7 20  1  0  0  0  0
 22 20  1  0  0  0  0
 24 22  1  0  0  0  0
  5  7  1  0  0  0  0
  7 16  1  1  0  0  0
  1  7  1  0  0  0  0
 13 14  1  0  0  0  0
 25 14  1  0  0  0  0
 14 18  1  6  0  0  0
  8  9  1  0  0  0  0
 13 12  1  0  0  0  0
  6 24  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  2  0  0  0  0
  2  1  1  0  0  0  0
  3  4  1  0  0  0  0
  3  2  1  0  0  0  0
  3 19  1  1  0  0  0
 20 21  1  6  0  0  0
 22 23  1  1  0  0  0
 25 28  1  1  0  0  0
 25 26  1  6  0  0  0
 25 27  1  1  0  0  0
M  END
> <LM_ID>
LMST02030206

> <COMMON_NAME>
Pregn-5-ene-3beta,20beta-diol

> <SYSTEMATIC_NAME>
Pregn-5-en-3beta,20R-diol

> <FORMULA>
C21H34O2

> <MASS>
318.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QAAQQTDJEXMIMF-NFJVIFTASA-N

> <INCHI>
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3/t13-,15+,16+,17-,18+,19+,20+,21-/m1/s1

> <SMILES>
C1C[C@H](O)CC2=CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@](O)(C)[H])CC[C@]13[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166782

> <ABBREVIATION>
ST 21:1;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101898

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7130

> <CITATION>
-

$$$$