LMST04010336
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.8890    7.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110    6.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8890    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6670    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2232    5.8443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2232    6.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    7.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6670    6.7427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451    8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2232    8.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    7.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5573    7.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5573    8.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7793    8.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    8.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6670    7.3718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7793    9.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0476    9.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4017    9.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0241    9.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6466    9.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6858    8.5288    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2232    9.2115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6670    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6466   10.2428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2689    9.2583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2232    7.5065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    6.4949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2831    8.8305    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7793   10.0247    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
 11 26  1  0  0  0  0
 12 27  2  0  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>
LMST04010336

> <COMMON_NAME>


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

> <FORMULA>
C24H36O5

> <MASS>
404.26

> <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>
VDDZGGYYASHXNZ-AVOREMQFSA-N

> <INCHI>
InChI=1S/C24H36O5/c1-13(4-9-19(26)27)17-7-8-18-16-6-5-14-12-15(25)10-11-23(14,2)20(16)21(28)22(29)24(17,18)3/h13-18,25,28H,4-12H2,1-3H3,(H,26,27)/t13-,14-,15-,16+,17-,18+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)C3=C(O)C(=O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])CC[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173139

> <ABBREVIATION>
ST 24:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284083

> <LIPIDBANK_ID>
BBA0620

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$