LMST01150005
  LIPID_MAPS_STRUCTURE_DATABASE

 33 38  0  0  0  0  0  0  0  0999 V2000
    6.7582    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564    6.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564    5.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7582    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4600    5.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637    5.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637    6.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4600    6.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1618    7.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637    7.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    7.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9692    6.6209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9692    7.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2674    7.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    8.0594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4600    6.7831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637    6.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1465    5.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655    5.9921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710    7.8365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6710    8.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2674    8.6470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7989    9.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0082    9.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3902    8.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5650    8.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3187    9.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0509    8.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1975    8.2737    0.0000 C   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
 16 24  1  1  0  0  0
 24 25  1  0  0  0  0
 17 26  1  1  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 25 29  1  1  0  0  0
 28 30  1  0  0  0  0
 25 31  1  6  0  0  0
 31 32  1  0  0  0  0
 32 28  1  0  0  0  0
 29 33  1  0  0  0  0
 33 28  1  0  0  0  0
M  END
> <LM_ID>
LMST01150005

> <COMMON_NAME>
tomatidinol

> <SYSTEMATIC_NAME>
(22S,25S)-spirosol-5-en-3beta-ol

> <FORMULA>
C27H43NO2

> <MASS>
413.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Solanidines and alkaloid derivatives [ST0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KWVISVAMQJWJSZ-ZUKVSWLHSA-N

> <INCHI>
InChI=1S/C27H43NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28-29H,6-15H2,1-4H3/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]5[C@H](C)[C@]6(CCC(CN6)C)O[C@H]5C[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166815

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16061353

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$