LMST01150006
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    8.2732    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3750    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2732    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    6.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    7.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0693    9.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    9.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    9.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6622    8.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6622    9.1720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7640    9.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    9.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1713    8.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9677    8.4979    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0498    7.2625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8658    7.3302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7640   10.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1646   11.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6037   11.1430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3126   10.4339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2813   10.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5407   11.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8316   12.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8633   12.1116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3419   11.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5037   10.0327    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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  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  6  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>
LMST01150006

> <COMMON_NAME>
Verazine

> <SYSTEMATIC_NAME>
(20S,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-LURFOZDGSA-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>
161052

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
203095

> <CITATION>
6037280

$$$$