LMST04010403
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8959    7.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1138    6.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1138    5.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8959    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    5.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600    5.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    5.8474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    6.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600    7.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    6.7504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4600    8.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    8.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0241    8.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0241    7.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884    7.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5884    8.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8063    8.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0241    8.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    7.3828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8063    9.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0709    9.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4320    9.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0576    9.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6833    9.6403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8284    5.4236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    9.2320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6833   10.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3088    9.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2422    7.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0241    6.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3128    8.8490    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8063   10.0494    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  2  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
  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
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 12 27  1  1  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
 14 32  1  6  0  0  0
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010403

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha,12beta-Trihydroxy-5beta-chol-9(11)-en-24-oic Acid

> <FORMULA>
C24H38O5

> <MASS>
406.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MLERECQLXZEBRY-DVOCEFGKSA-N

> <INCHI>
InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h12-17,19-20,22,25-27H,4-11H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,19-,20-,22+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)C3=C[C@@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(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 24:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284147

> <LIPIDBANK_ID>
BBA0687

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$