LMST04030121
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9020    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    5.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    5.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4733    8.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    8.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446    8.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6160    7.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6160    8.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    8.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446    8.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    7.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303    9.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0915    9.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4589    9.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0874    9.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7159    9.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3443    9.2975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9729    9.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3443    8.6849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    8.8655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8303   10.0714    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6877    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4896    9.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2591    7.5286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4562    6.4480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0446    6.5071    0.0000 H   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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  5 30  1  1  0  0  0
  3 31  1  6  0  0  0
 26 32  1  0  0  0  0
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST04030121

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5beta-Cholestane-3alpha,26-diol

> <FORMULA>
C27H48O2

> <MASS>
404.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKISDYAXCJJSLZ-RKOYIKFYSA-N

> <INCHI>
InChI=1S/C27H48O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h18-25,28-29H,5-17H2,1-4H3/t18?,19-,20-,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)CCCC(C)CO)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187287

> <ABBREVIATION>
ST 27:0;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
194473

> <LIPIDBANK_ID>
BBA0447

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$