LMST01010205
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.5991    7.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795    6.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8795    5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5991    5.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3032    5.8328    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0074    5.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    5.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    6.6607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.0074    7.0631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3032    6.6607    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0074    7.8678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    8.2856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4312    7.8678    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4312    7.0631    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2127    6.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6847    7.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2127    8.1154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4312    8.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3027    7.4732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2127    8.9666    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4621    9.4770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9400    9.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6441    8.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3483    9.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0679    9.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7720    9.4463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0679    8.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4388    6.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7425    7.4809    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0074    6.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9322    8.5255    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2974    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
  8 14  1  0  0  0  0
 15 14  1  0  0  0  0
 14 28  1  6  0  0  0
 11  9  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 30  1  6  0  0  0
  7  8  1  0  0  0  0
  8 29  1  1  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 31  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  6  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
  3  2  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
 32  3  2  0  0  0  0
  5 33  1  1  0  0  0
M  END
> <LM_ID>
LMST01010205

> <COMMON_NAME>
5beta-cholestanone

> <SYSTEMATIC_NAME>
5beta-cholestan-3-one

> <FORMULA>
C27H46O

> <MASS>
386.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta-Cholestan-3-one; 5beta-cholestan-3-one; Coprostan-3-one

> <INCHI_KEY>
PESKGJQREUXSRR-JDIFZLMISA-N

> <INCHI>
InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
C1CC(=O)C[C@@]2([H])CC[C@]3([H])[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@H](C)CCCC(C)C)CC[C@]13[H]

> <KEGG_ID>
C03091

> <HMDB_ID>
HMDB0011182

> <CHEBI_ID>
16074

> <ABBREVIATION>
ST 27:1;O

> <CAYMAN_ID>
42284

> <SWISSLIPIDS_ID>
SLM:000485358

> <PUBCHEM_COMPOUND_ID>
92132

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$