LMST02030306
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    5.2621   -6.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384   -6.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2621   -8.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3858   -6.5270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148   -6.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912   -6.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912   -7.5390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148   -8.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0147   -5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8911   -4.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7676   -5.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7676   -6.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6439   -4.5029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5204   -5.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5205   -6.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7676   -3.9971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384   -5.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8912   -5.7679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0148   -6.7294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8182   -6.7799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094   -8.0449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6439   -3.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384   -8.2733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3947   -4.5040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5099   -2.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7779   -2.9911    0.0000 O   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
 13 18  1  1     0  0
  2 19  1  1     0  0
  8 20  1  1     0  0
  7 21  1  6     0  0
 14 22  1  6     0  0
  5 23  1  1     0  0
 15 24  1  1     0  0
  3 25  1  6     0  0
 16 26  1  6     0  0
 24 27  1  0     0  0
 24 28  1  1     0  0
M  END
> <LM_ID>
LMST02030306

> <COMMON_NAME>
Allopregnane-3beta,16alpha,20alpha-triol

> <SYSTEMATIC_NAME>
Allopregnane-3beta,16alpha,20alpha-triol

> <FORMULA>
C21H36O3

> <MASS>
336.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PYSDRYREDSFAKC-DTRVYOHYSA-N

> <INCHI>
InChI=1S/C21H36O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:0;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
251867

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
13084620

$$$$