LMST04030047
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9259    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263    6.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1263    5.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9259    5.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254    5.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    5.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    5.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    6.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254    6.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5250    8.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    8.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1241    8.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1241    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7233    7.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7233    8.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9237    8.6307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1241    8.8846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254    7.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9237    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1719    9.5707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5634    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2030    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8426    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    9.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1219    9.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4822    8.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4415    8.9296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9237   10.1568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9259    8.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9240    5.4276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    9.3211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1219   10.2690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6478    9.3897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    7.5689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5075    6.4693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1241    6.5293    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
  1 30  1  1  0  0  0
  3 31  1  6  0  0  0
  7 32  1  6  0  0  0
 12 33  1  6  0  0  0
  5 34  1  1  0  0  0
 26 35  2  0  0  0  0
 26 36  1  0  0  0  0
  8 37  1  1  0  0  0
  9 38  1  6  0  0  0
 14 39  1  6  0  0  0
M  END
> <LM_ID>
LMST04030047

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
1beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O6

> <MASS>
466.33

> <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>
HQMODQLSLMTEGC-ZCPDKQAQSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)18-8-9-19-24-20(13-23(31)27(18,19)4)26(3)16(11-21(24)29)10-17(28)12-22(26)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17+,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1

> <SMILES>
[C@H]1(O)[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185313

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284221

> <LIPIDBANK_ID>
BBA0367

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$