LMST05020038
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   12.9263    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9210   10.7797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648   10.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    9.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7863   10.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7829    9.3009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4954    9.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4988   10.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6443   10.7850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9237    9.7718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7551   11.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7819    8.3395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223    7.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    7.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9263    7.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3768    9.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    8.8017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5312    7.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3768    7.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735    8.3155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   11.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6856    7.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091    7.3371    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091    8.3136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7091    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223    9.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4954   12.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040   12.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6477   12.7378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3411   11.7576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1867   12.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0324   11.7576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1867   13.2223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2223    6.8415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9146   11.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  1 10  1  1  0  0  0
  5 11  1  1  0  0  0
  6 12  1  6  0  0  0
  4 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  1  1  0  0  0  0
 13 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  4 21  1  6  0  0  0
  9 22  1  0  0  0  0
 19 23  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 13 28  1  1  0  0  0
 22 29  1  0  0  0  0
 22 30  1  6  0  0  0
 22 31  1  1  0  0  0
 29 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  2  0  0  0  0
 14 36  1  1  0  0  0
  2 37  1  6  0  0  0
M  END
> <LM_ID>
LMST05020038

> <COMMON_NAME>
3-Sulfodeoxycholic acid

> <SYSTEMATIC_NAME>
3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3-sulfate

> <FORMULA>
C24H40O7S

> <MASS>
472.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Sulfates [ST0502]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB02504

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44263355

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST05020038

$$$$