LMST02030335
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    8.8437   -9.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116  -10.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116  -11.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8437  -12.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9759  -11.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9759  -10.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5795   -9.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4474  -10.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4474  -11.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5795  -12.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5794   -8.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4473   -8.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152   -8.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152   -9.9961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1830   -8.4928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0510   -8.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0511   -9.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152   -7.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116   -9.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7116  -12.5015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5225   -9.6954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5545  -10.6726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3152  -10.7226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081  -12.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1830   -7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5795  -13.0025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0509   -6.9895    0.0000 C   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
  3 20  1  1     0  0
  8 21  1  1     0  0
  7 22  1  6     0  0
 14 23  1  6     0  0
  5 24  1  1     0  0
 15 25  1  1     0  0
 10 26  2  0     0  0
 25 27  2  0     0  0
M  END
> <LM_ID>
LMST02030335

> <COMMON_NAME>
Villosterol

> <SYSTEMATIC_NAME>
3beta,5beta-dihydroxy-pregn-20-en-6-one

> <FORMULA>
C21H32O3

> <MASS>
332.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WVWYCSZBBCXDNM-LNNMCQGISA-N

> <INCHI>
InChI=1S/C21H32O3/c1-4-13-5-6-16-15-11-18(23)21(24)12-14(22)7-10-20(21,3)17(15)8-9-19(13,16)2/h4,13-17,22,24H,1,5-12H2,2-3H3/t13-,14-,15-,16-,17-,19+,20+,21+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1382023

> <CITATION>
23856090

$$$$