LMST04010438
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    6.8814    7.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    6.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1078    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8814    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4286    5.3942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023    5.8409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023    6.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4286    7.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    6.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4286    8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023    8.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758    8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758    7.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5231    7.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5231    8.0742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    8.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758    8.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    7.3597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0221    9.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3684    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9873    9.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6062    9.5928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7822    5.4217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6550    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6062   10.2144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2250    9.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2023    7.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4117    6.4296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9758    6.4878    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7495    9.9975    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  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  2  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
  5 27  1  1  0  0  0
 24 28  2  0  0  0  0
 24 29  1  0  0  0  0
  8 30  1  1  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
 20 33  1  1  0  0  0
M  END
> <LM_ID>
LMST04010438

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,7alpha-Dihydroxy-5beta-chol-16-en-24-oic Acid

> <FORMULA>
C24H38O4

> <MASS>
390.28

> <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>
JWCVBRQHSRBFQY-HZGGBFQVSA-N

> <INCHI>
InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h5,14-16,18-20,22,25-26H,4,6-13H2,1-3H3,(H,27,28)/t14-,15+,16-,18+,19+,20-,22+,23+,24-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)C([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>
196594

> <ABBREVIATION>
ST 24:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284179

> <LIPIDBANK_ID>
BBA0722

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$