LMST02030130
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
   11.0010    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9955   10.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1338    9.5668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1425    8.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8665    9.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8631    8.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5866    8.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5901    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7300   10.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8351   10.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7193   11.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2859    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2859    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1425    6.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0010    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4347    8.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    8.0786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4347    6.6045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2859    9.0614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607   11.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2859    6.2405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3379   11.3998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1801    7.7913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9510    8.8536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1425    7.8219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  1  0  0  0
  9 11  1  1  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 12 20  1  1  0  0  0
 18 21  1  6  0  0  0
 11 22  1  0  0  0  0
 13 23  1  6  0  0  0
 11 24  2  0  0  0  0
  6 25  1  6     0  0
  1 26  1  1     0  0
  4 27  1  6     0  0
M  END
> <LM_ID>
LMST02030130

> <COMMON_NAME>
Allopregnanolone

> <SYSTEMATIC_NAME>
3alpha-hydroxy-5alpha-pregnane-20-one

> <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>
(3alpha,5alpha)-3-hydroxypregnan-20-one; allopregnan-3alpha-ol-20-one; brexanolone

> <KEGG_ID>
C13712

> <HMDB_ID>
HMDB01449

> <YMDB_ID>
-

> <CHEBI_ID>
50169

> <CAYMAN_ID>
16930

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000485381

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92786

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://www.lipidmaps.org/databases/lmsd/LMST02030130

$$$$