LMST04010352
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    5.7815    7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7815    5.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    6.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446    5.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262    6.2810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446    7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    7.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446    8.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262    8.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    8.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    7.6347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4708    8.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892    8.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    9.2366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    7.8153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892    9.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9543    9.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3145   10.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9397    9.7103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5649   10.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7120    5.8575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5630    5.6815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5649   10.6992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1900    9.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1262    7.9506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3275    6.8757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9076    6.9345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1954    9.2806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6892   10.4802    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  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
  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
 17 33  1  6  0  0  0
 20 34  1  1  0  0  0
M  END
> <LM_ID>
LMST04010352

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6beta,7alpha-Dihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O4

> <MASS>
392.29

> <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>
HVAWCRJIBNFWOY-KQPNOHMBSA-N

> <INCHI>
InChI=1S/C24H40O4/c1-14(7-10-19(25)26)15-8-9-16-20-17(11-13-24(15,16)3)23(2)12-5-4-6-18(23)21(27)22(20)28/h14-18,20-22,27-28H,4-13H2,1-3H3,(H,25,26)/t14-,15-,16+,17+,18+,20+,21+,22+,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@H](O)[C@@H](O)[C@]2([H])CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 24:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5284099

> <LIPIDBANK_ID>
BBA0636

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$