LMST01020121
  LIPID_MAPS_STRUCTURE_DATABASE

 47 51  0     0  0            999 V2000
    8.3327    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3996    8.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3996    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3327    6.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2656    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1989    6.6231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1321    7.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1321    8.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1989    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2656    8.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1989    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1321   10.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9311    8.7781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9311    9.8555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982   10.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648   10.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2656    8.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982   11.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6022   10.7433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    6.7765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1321    9.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1784    7.8717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0648    7.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2656    6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8023   11.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8023   12.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982   13.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1942   12.6491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1942   11.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9982   13.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3996    9.4940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    8.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9849    6.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1087    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324    6.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4798    6.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6155    7.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2522    6.7787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1165    7.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842    6.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8485    7.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7163    6.7907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5806    7.2937    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
 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
  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
 17 21  1  6     0  0
  3 22  1  1     0  0
  8 23  1  1     0  0
  9 24  1  6     0  0
 14 25  1  1     0  0
  5 26  1  1     0  0
 20 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 20  2  0     0  0
 29 32  2  0     0  0
 19 33  2  0     0  0
  9 11  1  0     0  0
 34 35  2  0  0  0  0
 34 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 40  1  0  0  0  0
 22 34  1  0  0  0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 47  1  0     0  0
M  END
> <LM_ID>
LMST01020121

> <COMMON_NAME>
Hellebrigenin-3-(12-hydroxy-laurate)

> <SYSTEMATIC_NAME>
3beta,5beta,14beta-trihydroxy-19-oxo-bufa-20,22-dienolide-3beta-yl-(12-hydroxy-dodecanoate)

> <FORMULA>
C36H54O8

> <MASS>
614.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Steryl esters [ST0102]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Hellebrigenin-3-(12- hydroxydodecanoic acid) ester

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120329

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01020121

$$$$