LMST01160001
  LIPID_MAPS_STRUCTURE_DATABASE

 40 45  0     0  0            999 V2000
    9.6555    8.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7433    9.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7525    8.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5662    9.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625    8.6331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3794    9.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4745   10.2041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    8.9759    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5662   10.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4634   11.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3655   11.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4634   12.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5625    7.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8514    8.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8514    7.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7525    6.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6555    7.0628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9559    8.6215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9559    6.5538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8514    8.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1184   10.5758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6652   11.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7525    7.8121    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3133   11.1725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2743   11.7349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2743   12.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3133   13.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3655   12.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9674   11.3017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0710   13.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9442    9.2840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3131   14.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6738    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8801    6.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498   10.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3758    8.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6498   11.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2777    8.1059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  4 37  1  0  0  0  0
 37  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  5  1  0  0  0  0
 38  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  4  1  0  0  0  0
  5 38  1  0  0  0  0
  1  8  1  1  0  0  0
  4  9  1  1  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  1  0  0  0
  5 13  1  6  0  0  0
  3 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  1  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
 14 22  1  1  0  0  0
  7 23  1  6  0  0  0
 10 24  1  6  0  0  0
  3 25  1  6  0  0  0
 11 26  1  1  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 11  1  0  0  0  0
 27 31  2  0  0  0  0
 28 32  1  0  0  0  0
 18 33  2  0  0  0  0
 29 34  1  0  0  0  0
 16 35  1  6  0  0  0
 17 35  1  6  0  0  0
 15 36  1  6  0  0  0
 37 39  1  6  0  0  0
 38 40  1  1  0  0  0
M  END
> <LM_ID>
LMST01160001

> <COMMON_NAME>
15beta-Hydroxynicandrin B

> <SYSTEMATIC_NAME>
1-oxo-5alpha,12alpha,15beta-trihydroxy-6alpha,7alpha-epoxy-witha-2,24-dienolide

> <FORMULA>
C28H38O7

> <MASS>
486.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5alpha,12alpha,15beta-trihydroxy-6alpha,7alpha-epoxy-1-oxo-22R-witha-2,24-dienolide

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931499

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST01160001

$$$$