LMST04030080
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.9030    7.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    6.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1168    5.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9030    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    5.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4754    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    5.7015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    6.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4754    7.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    6.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4754    7.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    8.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    7.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    7.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6202    7.0633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6202    7.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8340    8.4251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    8.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6892    7.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8340    9.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0947    9.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4630    9.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0920    9.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7209    9.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3498    9.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9788    9.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3498    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3432    8.7190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8340    9.9257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8510    5.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    9.1040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4959    9.1714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2617    7.3811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4582    6.2998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477    6.3588    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  2  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
  3 30  1  1  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  0  0  0
 26 33  1  0  0  0  0
  8 34  1  1  0  0  0
  9 35  1  6  0  0  0
 14 36  1  6  0  0  0
M  END
> <LM_ID>
LMST04030080

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5-Cholestene-3beta,7alpha,12alpha,26-tetrol

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <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>
QJHBFNMJACPGRR-HVRZSTOQSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h13,16-17,19-25,28-31H,5-12,14-15H2,1-4H3/t16?,17-,19+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)CO)CC[C@@]4([H])[C@]3([H])[C@H](O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284246

> <LIPIDBANK_ID>
BBA0401

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$