LMST02030317
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    3.9854   -7.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514   -7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514   -8.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9854   -9.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -8.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1194   -7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -7.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5834   -7.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5834   -8.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -9.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173   -6.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5833   -5.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4494   -6.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4494   -7.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514   -6.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6334   -6.7885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4005   -5.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9882   -6.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4005   -7.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4614   -5.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4003   -4.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2092   -4.1414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8764   -9.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4494   -7.6634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3663   -5.4705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6923   -7.7385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4491   -4.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533   -9.0384    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
  2 15  1  1     0  0
  8 16  1  1     0  0
 13 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 14  1  0     0  0
 13 20  1  1     0  0
 21 17  1  0     0  0
 21 22  1  1     0  0
  3 23  1  6     0  0
 14 24  1  6     0  0
 17 25  1  6     0  0
  7 26  1  6     0  0
 27 21  1  0     0  0
  5 28  2  0     0  0
M  END
> <LM_ID>
LMST02030317

> <COMMON_NAME>
Wrightiamine B

> <SYSTEMATIC_NAME>
20S-amino-5alpha-pregnan-3-one

> <FORMULA>
C21H35NO

> <MASS>
317.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HUZKCJXXNQCADJ-SKLBOBKVSA-N

> <INCHI>
InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19H,4-12,22H2,1-3H3/t13-,14-,16-,17+,18-,19-,20-,21+/m0/s1

> <SMILES>
C1CC(=O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CC[C@]([H])([C@@H](N)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11012575

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
69390

> <CITATION>
12808258

$$$$