LMST04030150
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.5414    7.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    6.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7554    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5414    5.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3276    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1137    5.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    6.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1137    7.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3276    6.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1137    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    7.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583    7.1310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    8.7423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3276    7.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    9.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7330    9.4168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1011    9.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7300    9.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3589    9.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877    9.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6166    9.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877    8.6058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9813    8.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722    9.9932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.4448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6166   10.1036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1337    9.2390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4219    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8999    9.2319    0.0000 O   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  2  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  2  0  0  0  0
 26 31  2  0  0  0  0
 26 32  1  0  0  0  0
  7 33  1  6  0  0  0
 12 34  1  6  0  0  0
M  END
> <LM_ID>
LMST04030150

> <COMMON_NAME>
7alpha,12alpha-dihydroxy-3-oxocholest-4-en-27-oic acid

> <SYSTEMATIC_NAME>
7alpha,12alpha-dihydroxy-3-oxocholest-4-en-26-oic acid

> <FORMULA>
C27H42O5

> <MASS>
446.30

> <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>
PEIQVFBLXUEBGA-HMRLIYTKSA-N

> <INCHI>
InChI=1S/C27H42O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h12,15-16,19-24,29-30H,5-11,13-14H2,1-4H3,(H,31,32)/t15-,16?,19-,20?,21?,22-,23+,24?,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)C3C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCCC(C)C(O)=O)CCC4C3[C@H](O)CC2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779660

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$