LMST01150001
  LIPID_MAPS_STRUCTURE_DATABASE

 34 39  0  0  0  0  0  0  0  0999 V2000
    6.8105    7.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    6.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0782    5.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8105    5.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5426    5.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749    5.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0072    5.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0072    6.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749    7.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5426    6.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0072    8.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7394    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7394    7.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2040    7.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2040    7.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4718    8.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7394    8.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5426    7.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0072    7.3904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2589    6.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7394    6.4383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    8.3627    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    9.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4718    9.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9830    9.6972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6687    7.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4010    8.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4010    9.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6687    9.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8820    7.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9364    9.7351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5426    5.2475    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  1  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
 24 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 25  1  0  0  0  0
 29 32  1  6  0  0  0
 25 33  1  6  0  0  0
  5 34  1  6  0  0  0
M  END
> <LM_ID>
LMST01150001

> <COMMON_NAME>
Demissidine

> <SYSTEMATIC_NAME>
solanidan-3beta-ol

> <FORMULA>
C27H45NO

> <MASS>
399.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Solanidines and alkaloid derivatives [ST0115]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JALVTHFTYRPDMB-HRRTYWNUSA-N

> <INCHI>
InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3/t16-,17+,18-,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([H])CC[C@H](C)CN6[C@H]5C[C@@]4([H])[C@]3([H])CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166814

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101379

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$