LMST04030071
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9334    7.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1295    7.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1295    6.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9334    5.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    6.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    5.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    6.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    7.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    7.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    7.2389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    8.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1491    8.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1491    7.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7571    7.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7571    8.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    9.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1491    9.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    7.8889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532    9.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1972   10.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5963   10.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2395    9.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826   10.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5256    9.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1689   10.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5256    9.2113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4738    9.3962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9532   10.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5413    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9479    5.8750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    9.7899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7373    5.6940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1689   10.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6976    9.8589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3453    8.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5237    6.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1491    6.9828    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
  6 31  1  6  0  0  0
  7 32  1  6  0  0  0
 12 33  1  6  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>
LMST04030071

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,6alpha,7alpha,12alpha-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>
RVAJJSHFHVWNHR-DQWVOGGRSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(6-5-7-15(2)25(32)33)17-8-9-18-22-19(13-21(29)27(17,18)4)26(3)11-10-16(28)12-20(26)23(30)24(22)31/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)CCCC(C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)[C@H](O)[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>
5284241

> <LIPIDBANK_ID>
BBA0391

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$