LMST04010400
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    6.8886    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1108    5.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8886    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6663    5.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    5.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6663    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4441    8.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    8.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    8.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5554    7.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5554    8.0894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7776    8.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    8.7856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6663    7.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7776    9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0462    9.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    9.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0220    9.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6443    9.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2220    9.2102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6663    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6443   10.2412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2664    9.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9997    6.4945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2813    8.8293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7776   10.0232    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  2  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
 12 26  1  6  0  0  0
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
 14 30  1  6  0  0  0
 17 31  1  6  0  0  0
 20 32  1  1  0  0  0
M  END
> <LM_ID>
LMST04010400

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,12alpha-Dihydroxy-5beta-chola-7,9(11)-dien-24-oic Acid

> <FORMULA>
C24H36O4

> <MASS>
388.26

> <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>
MHMJDFLOHGJHIJ-UMNDTTGPSA-N

> <INCHI>
InChI=1S/C24H36O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h6,13-16,18-19,21,25-26H,4-5,7-12H2,1-3H3,(H,27,28)/t14-,15-,16-,18-,19+,21+,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])C3=CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173216

> <ABBREVIATION>
ST 24:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284144

> <LIPIDBANK_ID>
BBA0684

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$