LMST01010317
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.4358    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5283    7.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5283    6.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4358    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    6.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3432    7.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502    9.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576   10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    9.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8794    8.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8794    9.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9721   10.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648   10.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3432    8.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9721   10.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1190   11.0943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6980   11.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    7.6431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5597   10.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9721   11.7592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502    7.6604    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3432    6.8845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    7.9322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1576    8.9797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4237   10.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4237    9.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3309    8.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3309    9.2942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2380    9.8180    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
 26  4  1  0  0  0  0
 26  5  2  0  0  0  0
  5  6  1  0  0  0  0
 27  6  1  0  0  0  0
  7 27  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 15 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 29  2  0  0  0  0
  8  1  1  0  0  0  0
 26  8  1  0  0  0  0
  8  7  1  0  0  0  0
 27 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 16  1  1  0  0  0
  8 17  1  1  0  0  0
 18 19  1  0  0  0  0
 12 21  1  6  0  0  0
 15 22  1  6  0  0  0
 18 23  1  1  0  0  0
  7 24  1  6  0  0  0
  3 25  1  1  0  0  0
 27 28  1  1  0  0  0
 29 30  1  0  0  0  0
 30 32  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMST01010317

> <COMMON_NAME>
22Z-dehydrocholesterol

> <SYSTEMATIC_NAME>
cholesta-5,22Z-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>


> <INCHI_KEY>
UPGTYLFCVNHBTN-MMEGKJBPSA-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/h6,8-9,18-19,21-25,28H,7,10-17H2,1-5H3/b8-6-/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931330

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
6576

> <CITATION>
-

$$$$