LMST01130053
  LIPID_MAPS_STRUCTURE_DATABASE

 36 42  0     0  0            999 V2000
    8.4139    8.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5529    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4139    6.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1355    6.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9964    7.3165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9964    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9964   10.2987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1355    9.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026    8.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3867    9.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026   11.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   11.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6633   11.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6633   12.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026   10.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5054   10.8116    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7916    7.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    8.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2746    9.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4139    9.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1355    8.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1355    7.8136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417   12.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026   13.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026   14.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9964    9.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3950    8.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7224    8.5821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2432    7.6344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8396    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1 24  1  0     0  0
  2 22  1  0     0  0
 22  3  1  0     0  0
  3 21  1  0     0  0
 27 24  1  0     0  0
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 21  4  1  0     0  0
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  6 19  1  0     0  0
 27  6  1  0     0  0
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  7  8  1  0     0  0
  7 17  1  0     0  0
 19  9  1  0     0  0
 17 19  1  0     0  0
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  9 10  1  0     0  0
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 15 16  1  6     0  0
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 30 31  2  0     0  0
  6 32  1  1     0  0
  1 33  1  1     0  0
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M  END
> <LM_ID>
LMST01130053

> <COMMON_NAME>
Melianthugenin

> <SYSTEMATIC_NAME>
(1beta,3beta,5beta)-1,3,5-[(1R)-ethylidynetris(oxy)]-14beta-hydroxy-19oxo-bufa-20,22-dienolide

> <FORMULA>
C26H32O7

> <MASS>
456.21

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Bufanolides and derivatives [ST0113]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101717792

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01130053

$$$$