LMST04030177
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0  0  0  0  0  0  0  0999 V2000
    9.0486    6.8662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0440    8.4933    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3397    8.0826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469    7.2695    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7560    8.0908    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7532    7.2768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1620    7.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1650    8.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4619    8.4977    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7303    8.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532    9.2891    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6467    6.8662    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6467    6.0569    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3469    5.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0486    6.0569    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9510    7.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553    6.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553    6.0630    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9510    5.6613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    7.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1541    9.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7522    9.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7532    6.4674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8550    9.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560    9.6938    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.2568    9.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4532   10.0985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1618    8.9041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2568    8.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9577    9.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3469    6.4601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0486    7.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7490    5.6515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0386    9.3026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6467    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5560   10.5032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9578    8.8845    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
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
  4 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  1  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 13  1  0  0  0  0
 12 20  1  1  0  0  0
 11 21  1  0  0  0  0
 11 22  1  6  0  0  0
  6 23  1  6  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 11 27  1  1  0  0  0
  9 28  1  6  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
  4 31  1  6  0  0  0
  1 32  1  1  0  0  0
 18 33  1  6  0  0  0
 15 34  1  6  0  0  0
  2 35  1  6  0  0  0
 13 36  1  1  0  0  0
 25 37  1  1  0  0  0
 26 38  1  0  0  0  0
M  END
> <LM_ID>
LMST04030177

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Cholestane-3alpha,7alpha,12alpha,24R,25-pentol

> <FORMULA>
C27H48O5

> <MASS>
452.35

> <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>
NHPWQASMMFUHIZ-FLRZZQOPSA-N

> <INCHI>
InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22-,23+,24+,26+,27-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB02208

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:0;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13887009

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$