LMST04030055
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9207    7.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1242    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1242    5.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9207    5.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    5.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    5.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    5.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    7.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    6.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5137    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067    7.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6998    7.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6998    8.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9033    8.6178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067    8.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    7.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9033    9.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1543    9.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5405    9.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1777    9.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8150    9.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4521    9.3536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0894    9.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4521    8.7324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4191    8.9156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9033   10.1381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    9.3056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7172    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0894   10.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6132    9.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3103    7.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4963    6.4646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1067    6.5245    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
  3 30  1  1  0  0  0
 12 31  1  6  0  0  0
  5 32  1  1  0  0  0
 26 33  2  0  0  0  0
 26 34  1  0  0  0  0
  8 35  1  1  0  0  0
  9 36  1  6  0  0  0
 14 37  1  6  0  0  0
M  END
> <LM_ID>
LMST04030055

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,12alpha-Dihydroxy-5beta-cholestan-26-oic acid

> <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>
VSWJQUMFNWOZBT-GKPGXYKYSA-N

> <INCHI>
InChI=1S/C27H46O4/c1-16(6-5-7-17(2)25(30)31)21-10-11-22-20-9-8-18-14-19(28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17?,18-,19+,20+,21-,22+,23+,24+,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)C(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173174

> <ABBREVIATION>
ST 27:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284228

> <LIPIDBANK_ID>
BBA0375

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$