LMST01010626
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    9.0954   -7.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0900   -5.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2278   -5.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -6.9690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9616   -5.9638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9580   -6.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826   -6.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6860   -5.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8255   -5.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0927   -6.4857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9299   -4.9029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8148   -4.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6728   -4.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8269   -3.5199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5632   -4.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5355   -4.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3338   -3.9474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2527   -2.9785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9569   -7.9282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2252   -4.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3795   -7.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3795   -8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -8.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0954   -8.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280   -6.9710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764   -7.4626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764   -8.4459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5280   -8.9374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3795   -6.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8248   -8.9374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6753   -5.0893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0557   -4.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2366   -7.9522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8445   -8.9715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1530   -3.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  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
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
  6 19  1  6  0  0  0
 17 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 21 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 22  1  0  0  0  0
 21 29  1  1  0  0  0
 27 30  1  1  0  0  0
  9 31  1  6  0  0  0
 12 32  1  6  0  0  0
  4 33  1  6  0  0  0
 24 34  2  0     0  0
 17 35  1  0     0  0
M  END
> <LM_ID>
LMST01010626

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,25-dihydroxycholesta-5,23Z-dien-7-one

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VSWSSOSCEINXCA-BVHNUHMCSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-17(7-6-12-25(2,3)30)20-8-9-21-24-22(11-14-27(20,21)5)26(4)13-10-19(28)15-18(26)16-23(24)29/h6,12,16-17,19-22,24,28,30H,7-11,13-15H2,1-5H3/b12-6-/t17-,19+,20-,21+,22+,24+,26+,27-/m1/s1

> <SMILES>
[C@]12(C(=O)C=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])C/C=C\C(O)(C)C)CC[C@@]21[H])[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163114588

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10212

> <CITATION>
20602282

$$$$