LMST01010242
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.9460    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9406    9.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0900    9.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0986    8.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8004    9.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7969    8.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4984    8.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5019    9.2980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6528    9.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7694   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6423   10.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    6.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0986    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9460    6.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    8.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5727    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5727    6.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    6.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2531    8.7951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4888   11.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7958   11.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7969    7.3435    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3352   10.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1818   11.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0282   10.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6423   11.7286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4981   10.2861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0282    9.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8746   11.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
  4 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 12 20  1  1  0  0  0
 18 21  1  1  0  0  0
 11 22  1  0  0  0  0
 11 23  1  6  0  0  0
  6 24  1  6  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 11 28  1  1  0  0  0
  9 29  1  6  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
> <LM_ID>
LMST01010242

> <COMMON_NAME>
8-Dehydrocholesterol

> <SYSTEMATIC_NAME>
cholesta-5,8-dien-3beta-ol

> <FORMULA>
C27H44O

> <MASS>
384.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-DHC

> <INCHI_KEY>
VUKORTMHZDZZFR-BXAZICILSA-N

> <INCHI>
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21,23-24,28H,6-8,10-17H2,1-5H3/t19-,21+,23-,24+,26+,27-/m1/s1

> <SMILES>
C12CC=C3C[C@@H](O)CC[C@]3(C)C=1CC[C@]1(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0002027

> <CHEBI_ID>
89982

> <ABBREVIATION>
ST 27:2;O

> <CAYMAN_ID>
25970

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129846

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
7616117

$$$$