LMST05010028
  LIPID_MAPS_STRUCTURE_DATABASE

 46 50  0     0  0            999 V2000
   10.5011    9.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6527    8.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    9.2876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6527    7.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    8.7983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    7.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011    7.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    7.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2194    9.4402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7996    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1207    7.3348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4080   10.3965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7811   10.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7756   12.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9096   12.2821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9184   11.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6509   12.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6474   11.2914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3794   11.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3830   12.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5187   12.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7783   11.7676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6193   13.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5079   13.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3697   14.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5201   14.7465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2138   13.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0613   14.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9053   13.7572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6463   10.3190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0577   10.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0577    9.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9184    9.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7811    9.7915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2023   11.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3470   10.7865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3470    9.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2023    9.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0577   11.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3721   13.1702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7456   14.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9184   10.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0577    8.8039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0647   15.2361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6360    9.2968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  5  9  1  1  0  0  0
  6 10  1  1  0  0  0
  8 11  1  6  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  6  8  1  0  0  0  0
 14 17  1  0  0  0  0
 14 19  1  0  0  0  0
 18 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 18  1  0  0  0  0
 19 20  1  0  0  0  0
 14 23  1  1  0  0  0
 18 24  1  1  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  1  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 19 31  1  6  0  0  0
 17 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 14  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 33  1  0  0  0  0
 32 40  1  1  0  0  0
 22 41  1  6  0  0  0
 25 42  1  6  0  0  0
 17 43  1  6  0  0  0
 33 44  1  1  0  0  0
 38  1  1  6  0  0  0
 29 45  2  0  0  0  0
 35 46  1  6  0  0  0
M  END
> <LM_ID>
LMST05010028

> <COMMON_NAME>
Chenodeoxycholic acid 3-glucuronide

> <SYSTEMATIC_NAME>
(3alpha,5beta,7alpha)-23-Carboxy-7-hydroxy-24-norcholan-3-yl-beta-D-Glucopyranosiduronic acid

> <FORMULA>
C30H48O10

> <MASS>
568.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Glucuronides [ST0501]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB02430

> <YMDB_ID>
-

> <CHEBI_ID>
137725

> <CAYMAN_ID>
36289

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
20849182

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST05010028

$$$$