LMST01160047
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    9.4881    7.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4826    9.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5987    9.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077    8.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    9.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    8.0200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    8.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1436    9.0349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2615    9.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4881    8.3544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758    9.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504   10.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1299   11.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2504   11.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3722    7.2567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292    7.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292    6.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077    5.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4881    6.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8562    8.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9833    7.5049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9833    6.4971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8562    5.9930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7292    8.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4722   11.0341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6077    7.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0540   10.4958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9910   11.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9910   12.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0540   12.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1299   12.1184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6666   10.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7676   12.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8562    8.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8358    7.3134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5768    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2724    5.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6223    6.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0510   13.6587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1613    9.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7302    5.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6205    4.9872    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
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  1  0  0  0
  6 15  1  1  0  0  0
  4 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  1  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 17  1  0  0  0  0
 16 24  1  1  0  0  0
 12 25  1  6  0  0  0
  4 26  1  6  0  0  0
 13 27  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 13  1  0  0  0  0
 28 32  2  0  0  0  0
 29 33  1  0  0  0  0
 20 34  2  0     0  0
  7 35  1  6     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
 30 39  1  0     0  0
  9 40  1  6     0  0
 17 41  1  6     0  0
 18 42  1  1     0  0
M  END
> <LM_ID>
LMST01160047

> <COMMON_NAME>
Physagulin J

> <SYSTEMATIC_NAME>
15alpha-acetoxy-5alpha,6beta,14beta,trihydroxy-1-oxo-witha2,24-dien-26,22-olide

> <FORMULA>
C30H42O8

> <MASS>
530.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Withanolides and derivatives [ST0116]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42610742

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMST01160047

$$$$