LMST01120020
  LIPID_MAPS_STRUCTURE_DATABASE

 43 48  0  0  0  0  0  0  0  0999 V2000
    9.8413    7.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    7.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8413    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    8.9600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    7.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6992    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6992    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5557    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5557    5.6600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    7.3100    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9846    8.1350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6992    8.5475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6992    9.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9687    8.1350    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.7937    8.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.5475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    9.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1513   10.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8164   10.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4838    8.8024    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1983    9.2149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2702    7.7225    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2702    6.8975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0713   10.8969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8963   10.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4797   11.4803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6978    7.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    7.7225    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9834    8.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9834    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    6.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.3100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.7225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3 13  1  0  0  0  0
 28 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 15  1  0  0  0  0
 15 10  1  0  0  0  0
 28 15  1  0  0  0  0
  7 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
 10  8  1  0  0  0  0
 17 10  1  0  0  0  0
 26 17  1  0  0  0  0
 26 19  1  0  0  0  0
  8 19  1  0  0  0  0
  9 33  1  1  0  0  0
 10 11  1  1  0  0  0
 12 21  1  1  0  0  0
 13 14  1  1  0  0  0
 15 16  1  1  0  0  0
 17 18  1  1  0  0  0
 19 20  1  1  0  0  0
 21 22  2  0  0  0  0
 26 23  1  0  0  0  0
 23 24  2  0  0  0  0
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 31 30  1  0  0  0  0
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 26 27  1  6  0  0  0
 28 29  1  6  0  0  0
 31 32  2  0  0  0  0
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 38 34  1  0  0  0  0
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 36 35  1  0  0  0  0
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 40 38  1  0  0  0  0
 36 37  1  6  0  0  0
 38 39  1  6  0  0  0
 40 41  1  6  0  0  0
 42 43  1  1  0  0  0
M  END
> <LM_ID>
LMST01120020

> <COMMON_NAME>
adonitoxin

> <SYSTEMATIC_NAME>
3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14,16beta-dihydroxy-19-oxo-5beta-card-20(22)-enolide

> <FORMULA>
C29H42O10

> <MASS>
550.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Adonitoxigenin 3-O-alpha-L-rhamnoside; Adonitoxin

> <KEGG_ID>
C08843

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
28930

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441838

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01120020

$$$$