LMST01150010
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    8.2531    8.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    7.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3666    6.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2531    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    6.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0255    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0255    8.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    7.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0255    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7981    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7981    8.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5710    8.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5710    9.1314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6848    9.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7981    9.9245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1391    8.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.2065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0062    7.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7981    7.3136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6848   10.6665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0931   11.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2874    9.6832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9318   12.1802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5390   11.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3215   11.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0487   12.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5035   13.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0410   13.5888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6823   10.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5871   10.4594    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  1  0  0  0
 24 33  1  0  0  0  0
 24 25  1  6  0  0  0
 16 26  1  6  0  0  0
 33 27  1  6  0  0  0
 33 28  1  1  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 29  1  1  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST01150010

> <COMMON_NAME>
Isoteinemine

> <SYSTEMATIC_NAME>
(22S,25S)-22,26-epiminocholest-5-en-3beta,16alpha-diol

> <FORMULA>
C27H45NO2

> <MASS>
415.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Solanidines and alkaloid derivatives [ST0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IRRHFODGOMSPEE-IXCDTRSDSA-N

> <INCHI>
InChI=1S/C27H45NO2/c1-16-5-8-23(28-15-16)17(2)25-24(30)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h6,16-17,19-25,28-30H,5,7-15H2,1-4H3/t16-,17+,19-,20+,21-,22-,23-,24+,25-,26-,27-/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H]([C@H](C)[C@]5([H])CC[C@H](C)CN5)[C@H](O)C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193224

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
135463427

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
203092

> <CITATION>
-

$$$$