LMST04060032
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    6.3336   -6.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070   -7.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4070   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3336   -8.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2604   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -8.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -8.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -7.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -6.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2604   -7.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -4.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404   -5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404   -6.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8941   -6.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8941   -5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9672   -4.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404   -4.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2604   -6.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9672   -4.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0958   -3.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7085   -3.5805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4500   -4.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -6.0952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0404   -7.3002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5673   -4.5182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9672   -3.0958    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1870   -7.2824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5943   -8.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1912   -3.5805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4501   -4.8211    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  1  0  0  0  0
  5  6  2  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 30  2  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
  8 24  1  1  0  0  0
 14 25  1  6  0  0  0
 17 26  1  6  0  0  0
 20 27  1  1  0  0  0
  9 28  1  6  0  0  0
  3 29  1  1  0  0  0
 23 31  1  0     0  0
M  END
> <LM_ID>
LMST04060032

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-Hydroxy-24-norchol-5-en-23-oic acid

> <FORMULA>
C23H36O3

> <MASS>
360.27

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C23 bile acids, alcohols, and derivatives [ST0406]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XAFQBISUIKGUJZ-IRJIZISJSA-N

> <INCHI>
InChI=1S/C23H36O3/c1-14(12-21(25)26)18-6-7-19-17-5-4-15-13-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h4,14,16-20,24H,5-13H2,1-3H3,(H,25,26)/t14-,16+,17+,18-,19+,20+,22+,23-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC(O)=O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 23:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11574067

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2636866

> <CITATION>
16081116

$$$$