LMST04010317
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    6.9050    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1202    6.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9050    5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    6.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592    6.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592    7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    7.1913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    8.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2592    9.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438    8.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6134    7.6445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6134    8.5506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8287    9.0037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438    9.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    7.8258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8287    9.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0907    9.9263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4564   10.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0842    9.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7120   10.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5589    5.9613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4744    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897    5.6833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7120   10.7215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3397    9.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4573    6.8824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0438    6.9414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3368    9.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8287   10.5016    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  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
  2 25  1  1  0  0  0
  3 26  1  1  0  0  0
  6 27  2  0  0  0  0
  5 28  1  6  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  9 31  1  6  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>
LMST04010317

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2beta,3beta-Dihydroxy-6-oxo-5alpha-chol-7-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>
ZDXZWIJQXLMLBZ-ZGHMVHKCSA-N

> <INCHI>
InChI=1S/C24H36O5/c1-13(4-7-22(28)29)15-5-6-16-14-10-19(25)18-11-20(26)21(27)12-24(18,3)17(14)8-9-23(15,16)2/h10,13,15-18,20-21,26-27H,4-9,11-12H2,1-3H3,(H,28,29)/t13-,15-,16+,17+,18-,20-,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])C3=CC(=O)[C@@]2([H])C[C@@H](O)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166703

> <ABBREVIATION>
ST 24:3;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284064

> <LIPIDBANK_ID>
BBA0601

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$