LMST01010257
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.9548    7.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546    6.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2546    5.8085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9548    5.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0555    6.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0555    8.2342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    7.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247    6.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    7.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6551    6.6171    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6551    7.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7558    7.8300    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7558    8.6385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1623    9.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    8.8609    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5426    8.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9468    9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555    9.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1598   10.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9682   10.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7555   10.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    5.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7558    7.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5247    8.0799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3333    8.0799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434    9.6080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0555    5.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    7.0214    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6551    5.8085    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6551    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    6.2128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 30  1  0  0  0  0
 29 11  1  0  0  0  0
 11 30  1  0  0  0  0
 23 28  2  0  0  0  0
  5 24  2  0  0  0  0
 29  5  1  0  0  0  0
  7 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
 25 13  1  0  0  0  0
 25  9  1  0  0  0  0
 24  8  1  0  0  0  0
  8  9  1  0  0  0  0
 13 24  1  0  0  0  0
  3 10  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 25 16  1  1  0  0  0
 16 15  1  6  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 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 25 26  1  6  0  0  0
 16 27  1  1  0  0  0
 28  5  1  0  0  0  0
 29 32  1  6  0  0  0
 30 31  1  6  0  0  0
 31 32  1  0  0  0  0
 30 23  1  0  0  0  0
M  END
> <LM_ID>
LMST01010257

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha,9alpha-epidioxy-cholesta-6,8(14)-dien-3beta-ol 

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WEAGYKPBVZBNAJ-KNOFZFNKSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-18(2)7-6-8-19(3)21-9-10-22-23-12-14-26-17-20(28)11-13-25(26,5)27(23,30-29-26)16-15-24(21,22)4/h12,14,18-21,28H,6-11,13,15-17H2,1-5H3/t19-,20+,21-,24-,25+,26-,27-/m1/s1

> <SMILES>
C1[C@@]2(C)[C@@]3(C=CC4[C@]2(OO3)CC[C@@]2(C)C=4CC[C@]2([H])[C@@]([H])(CCCC(C)C)C)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197212

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931304

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
20121089

$$$$