LMST01010625
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   10.2619   -8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2574   -7.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5489   -7.5616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5561   -8.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9735   -7.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9706   -8.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3876   -8.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3905   -7.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6834   -7.1441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2596   -7.9824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9476   -6.6818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6746   -6.3482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3796   -5.9480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6845   -5.5454    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0701   -6.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7635   -5.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4540   -6.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1473   -5.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697   -9.1676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4540   -7.1627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519   -8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519   -9.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5561  -10.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2619   -9.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1522   -8.3811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525   -8.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4525   -9.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1522   -9.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8519   -7.9771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7528   -9.9969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3816   -6.8350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0509   -5.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5561   -9.1874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7420   -5.1779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8774  -10.0249    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  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  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
 16 34  1  6     0  0
 24 35  2  0     0  0
M  END
> <LM_ID>
LMST01010625

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,24S-dihydroxycholesta-5,25-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>
FGDZNQRIWYSFIL-FATIZPNWSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-16(2)23(29)9-6-17(3)20-7-8-21-25-22(11-13-27(20,21)5)26(4)12-10-19(28)14-18(26)15-24(25)30/h15,17,19-23,25,28-29H,1,6-14H2,2-5H3/t17-,19+,20-,21+,22+,23+,25+,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])CC[C@H](O)C(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>
124018578

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10212

> <CITATION>
20602282

$$$$