LMST04030154
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.9767    7.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2940    6.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2940    6.1009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9767    5.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7163    6.1009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3990    5.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    6.1009    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1101    6.8974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3990    7.3241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7163    6.8974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3990    8.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7929    8.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7163    7.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    7.7507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990    6.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8213    6.4707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8497    5.6743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7163    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8213    7.3241    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8213    8.1490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6058    7.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0907    7.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    8.4039    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3203    8.8163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    9.2288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3203    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0347    9.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4634    9.2288    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.4634    8.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7490    9.6412    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.7490   10.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1778    9.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8923    9.2288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1101    8.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  6  0  0  0
  4  5  1  0  0  0  0
  5 10  1  0  0  0  0
  6  5  1  0  0  0  0
  5 19  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  6  0  0  0
  8 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  1  0  0  0
 10  9  1  0  0  0  0
  9 15  1  6  0  0  0
 11  9  1  0  0  0  0
 10 13  1  1  0  0  0
 11 36  1  0  0  0  0
 36 21  1  0  0  0  0
 21 12  1  1  0  0  0
 20 16  1  6  0  0  0
 20 22  1  0  0  0  0
 21 20  1  0  0  0  0
 25 21  1  0  0  0  0
 25 23  1  0  0  0  0
 22 23  1  0  0  0  0
 25 27  1  0  0  0  0
 27 24  1  6  0  0  0
 25 26  1  6  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 32  1  0  0  0  0
 32 30  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
> <LM_ID>
LMST04030154

> <COMMON_NAME>
3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al

> <SYSTEMATIC_NAME>
3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al

> <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>
3alpha,7alpha,24-trihydroxy-5beta-cholestan-27-al

> <INCHI_KEY>
GDUNLMLXJUYQIN-ZUMVMERMSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-16(5-8-23(30)17(2)15-28)20-6-7-21-25-22(10-12-27(20,21)4)26(3)11-9-19(29)13-18(26)14-24(25)31/h15-25,29-31H,5-14H2,1-4H3/t16-,17?,18+,19-,20-,21+,22+,23?,24-,25+,26+,27-/m1/s1

> <SMILES>
C1C[C@@H](O)C[C@@]2([H])C[C@@H](O)[C@]3([H])[C@@](CC[C@@]4([C@@]([H])([C@@H](CCC(O)C(C)C=O)C)CC[C@@]34[H])C)([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48734

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24755585

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$