LMST01010541
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.5124    9.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6461    8.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6461    7.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5124    7.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3786    7.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    7.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765    7.8952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765    8.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    9.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3786    8.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103   10.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0765   10.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081   10.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081    9.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061    9.3506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6061   10.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744   10.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081   11.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3786    9.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744   11.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9081   12.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6408   12.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4722   11.8453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3384   12.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   11.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1701   10.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0362   12.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    8.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3561   11.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    6.4053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7800    7.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3537    7.1399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9284    8.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 28  1  6  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 29  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
  5 32  1  6  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
  3 31  1  1  0  0  0
  6 30  2  0  0  0  0
 14 33  1  6     0  0
M  END
> <LM_ID>
LMST01010541

> <COMMON_NAME>
Viperidinone

> <SYSTEMATIC_NAME>
3beta,9alpha,14alpha-trihydroxy-5alpha-cholest-7-en-6-one

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VLVFQEPKPIFGQX-FRXXJFEDSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-17(2)7-6-8-18(3)20-10-12-26(30)23-16-22(29)21-15-19(28)9-11-24(21,4)27(23,31)14-13-25(20,26)5/h16-21,28,30-31H,6-15H2,1-5H3/t18-,19+,20-,21-,24+,25-,26-,27-/m1/s1

> <SMILES>
C1C[C@H](O)C[C@]2([H])C(=O)C=C3[C@@](CC[C@]4([C@@]3(O)CC[C@]4([H])[C@H](C)CCCC(C)C)C)(O)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
152743400

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
336147

> <CITATION>
-

$$$$