LMST04030045
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9323    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290    6.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290    5.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9323    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    5.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    5.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    6.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    6.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    8.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    8.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    8.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7521    7.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7521    8.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9488    8.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    8.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    7.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9488    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1934    9.5908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5914    9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2341    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8767    9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5192    9.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1619    9.7595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5192    8.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4690    8.9468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9488   10.1797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9444    5.4284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    9.3401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2326    8.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7356    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1619   10.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6902    9.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3422    7.5798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5213    6.4750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1454    6.5353    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  6  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  0  0  0
 23 33  1  0  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>
LMST04030045

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,23-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>
MWMOIWJQWNZGCC-HVISPLSJSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(9-18(29)10-15(2)25(32)33)19-5-6-20-24-21(13-23(31)27(19,20)4)26(3)8-7-17(28)11-16(26)12-22(24)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>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CC(O)CC(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>
-

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284219

> <LIPIDBANK_ID>
BBA0365

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$