LMST02020066
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    9.7704    8.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    7.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6315    7.8626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7737    9.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    6.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325    8.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8936    8.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957    8.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6315    6.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6410    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0657   10.0661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7609    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325    6.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1684    7.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5020    9.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4427    8.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1684    6.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4523    9.6578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4957   10.3563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0359    8.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    6.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4458   10.6591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7640    7.3651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6218    8.8639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4892    7.3555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  1  0  0  0
  5 12  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
 13 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  1  1  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 18 22  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 14 17  1  0  0  0  0
 18 20  1  0  0  0  0
  1 23  1  6  0  0  0
  3 24  1  1  0  0  0
  8 25  1  6  0  0  0
M  END
> <LM_ID>
LMST02020066

> <COMMON_NAME>
11beta-Hydroxyandrostenedione

> <SYSTEMATIC_NAME>
11beta-hydroxyandrost-4-ene-3,17-dione

> <FORMULA>
C19H26O3

> <MASS>
302.19

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C19 steroids (androgens) and derivatives [ST0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11beta-OHA4

> <INCHI_KEY>
WSCUHXPGYUMQEX-KCZNZURUSA-N

> <INCHI>
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1

> <SMILES>
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O

> <KEGG_ID>
C05284

> <HMDB_ID>
HMDB0006773

> <CHEBI_ID>
27967

> <ABBREVIATION>
ST 19:3;O3

> <CAYMAN_ID>
30410

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
94141

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7957; 9606

> <CITATION>
19369122; 23856005

$$$$