LMST02030210
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0     0  0            999 V2000
   11.0800    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0745    9.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    9.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    8.0711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604    9.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9569    8.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7098    8.0741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7133    9.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0800    8.4118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9604    9.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9569    7.3233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    6.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0800    6.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    8.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    6.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3359    8.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2070    7.2867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8386    9.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8386   10.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6046    6.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  6  1  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
 21  8  1  0  0  0  0
 21  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1  9  1  1  0  0  0
  5 10  1  1  0  0  0
  6 11  1  6  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
  1 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 13  1  0  0  0  0
 12 19  1  1  0  0  0
  4 20  1  6  0  0  0
 21 22  2  0  0  0  0
 23 24  1  1  0  0  0
M  END
> <LM_ID>
LMST02030210

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
pregna-5,20-dien-3beta-ol

> <FORMULA>
C20H30O

> <MASS>
286.23

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CDCQHKMEOJJEBD-SIRBJWHBSA-N

> <INCHI>
InChI=1S/C20H30O/c1-13-4-7-17-16-6-5-14-12-15(21)8-10-20(14,3)18(16)9-11-19(13,17)2/h5,15-18,21H,1,4,6-12H2,2-3H3/t15-,16-,17-,18-,19+,20-/m0/s1

> <SMILES>
[C@]12(CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 20:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931507

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
767273

> <CITATION>
-

$$$$