LMST04010430
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.5270    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7493    7.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7493    6.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5270    5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    6.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    5.8268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    6.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    7.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    7.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    8.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376    8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1930    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1930    8.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4153    8.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376    9.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3046    7.8026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4153    9.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6840    9.8841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0374   10.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6595    9.6882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2817   10.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0823    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    5.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2817   10.6722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9037    9.6882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8600    7.9372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0653    6.8677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6376    6.9261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9189    9.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4153   10.4542    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  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
  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
  6 25  1  1  0  0  0
  3 26  2  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
 17 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010430

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6beta-Hydroxy-3-oxochol-4-en-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>
VNVAJHCQVWXNTN-MGUVXAQSSA-N

> <INCHI>
InChI=1S/C24H36O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h12,14,16-19,21,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,16+,17-,18+,19+,21-,23-,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)=O)CC[C@@]4([H])[C@]3([H])C[C@@H](O)C2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178704

> <ABBREVIATION>
ST 24:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284172

> <LIPIDBANK_ID>
BBA0714

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$