LMST01150016
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    8.3148    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4121    7.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4121    6.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3148    6.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    6.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1199    6.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0228    6.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0228    7.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1199    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    7.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1199    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0228    9.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309    8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7309    9.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8281    9.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254   10.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2174    8.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    6.2397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0228    8.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1003    7.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9254    7.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8281   10.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2257   11.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6721   11.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3845   10.4863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3581   10.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6188   11.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9061   12.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9330   12.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4240   11.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5716   10.0831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
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  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
  3 20  1  1  0  0  0
  8 21  1  1  0  0  0
  9 22  1  6  0  0  0
 14 23  1  6  0  0  0
 17 24  1  0  0  0  0
 24 25  1  1  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  6  0  0  0
 24 26  1  0  0  0  0
 17 33  1  6     0  0
M  END
> <LM_ID>
LMST01150016

> <COMMON_NAME>
20-epi-Verazine

> <SYSTEMATIC_NAME>
(20R,25S)-22,26-iminocholesta-5,22(N)-dien-3beta-ol

> <FORMULA>
C27H43NO

> <MASS>
397.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Solanidines and alkaloid derivatives [ST0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VRBNGKPRTHBEIQ-RWWNDWOOSA-N

> <INCHI>
InChI=1S/C27H43NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-24,29H,5,7-16H2,1-4H3/t17-,18+,20-,21-,22+,23-,24-,26-,27+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@H](C5CC[C@H](C)CN=5)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44584077

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
82471

> <CITATION>
17226501

$$$$