LMST04050007
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    8.3534    8.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4085    8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4085    7.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3534    6.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983    7.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    6.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    7.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    8.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983    8.1765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2433    9.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884   10.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1331    9.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1331    8.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0231    8.7222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0231    9.8132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   10.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1331   10.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983    8.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   11.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1897   11.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8342   11.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5900   11.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8966    6.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2983    6.3605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1884    9.1041    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226    7.8045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1331    7.8756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6900   10.7122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0782   12.1625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8342   12.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 22  1  0     0  0
 22 23  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 20 21  1  6     0  0
  3 24  1  6     0  0
  7 25  1  6     0  0
  5 26  1  1     0  0
  8 27  1  1     0  0
  9 28  1  6     0  0
 14 29  1  6     0  0
 17 30  1  6     0  0
 20 31  1  1     0  0
 22 32  2  0     0  0
M  END
> <LM_ID>
LMST04050007

> <COMMON_NAME>
Dinorchenodeoxycholic acid

> <SYSTEMATIC_NAME>
24-dinor-3alpha,7alpha-dihydroxy-5beta-cholan-22-oic acid

> <FORMULA>
C22H36O4

> <MASS>
364.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C22 bile acids, alcohols, and derivatives [ST0405]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WQUYUZJNAIWNRJ-JWWUQCTPSA-N

> <INCHI>
InChI=1S/C22H36O4/c1-12(20(25)26)15-4-5-16-19-17(7-9-22(15,16)3)21(2)8-6-14(23)10-13(21)11-18(19)24/h12-19,23-24H,4-11H2,1-3H3,(H,25,26)/t12-,13-,14+,15+,16-,17-,18+,19-,21-,22+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)C(=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>
187214

> <ABBREVIATION>
ST 22:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44457463

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$