LMST01160044
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
    9.4894    7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4839    9.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5998    9.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    8.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3771    9.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3735    8.0211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    8.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1452    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2630    9.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    8.3556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3771    9.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519   10.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315   11.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519   11.3173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3735    7.2576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7303    7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7303    6.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    5.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4894    6.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    8.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    7.5059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    6.4980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    5.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7303    8.3151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4736   11.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    7.2209    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0557   10.4972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928   11.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9928   12.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0557   12.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1315   12.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6685   10.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7695   12.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8571    8.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8375    7.3143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5785    6.3617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2742    5.6610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6238    6.1093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0527   13.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7313    5.4764    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.6083    4.9838    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  2  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  6  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
 17 40  1  6     0  0
 18 41  1  1     0  0
M  END
> <LM_ID>
LMST01160044

> <COMMON_NAME>
Physagulin B

> <SYSTEMATIC_NAME>
15alpha-acetoxy-5alpha-chloro-6beta,14alpha-dihydroxy-1-oxo-witha2,16,24-trien-26,22-olide

> <FORMULA>
C30H39O7Cl

> <MASS>
546.24

> <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>
10437463

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01160044

$$$$