LMST01130025
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
    8.3276    8.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3951    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3951    7.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3276    6.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    7.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    6.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1251    7.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1251    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    8.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    8.2343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1925    9.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1251   10.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0575    9.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0575    8.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9226    8.7728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9226    9.8495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901   10.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0575   10.6841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    8.9883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901   11.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5940   10.7367    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7281    6.7725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1251    9.1496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1721    7.8671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2600    6.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7939   11.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7939   12.6413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901   13.1054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866   12.6413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866   11.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9901   13.8142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1309    7.9163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 17 21  1  6     0  0
  3 22  1  1     0  0
  8 23  1  1     0  0
  9 24  1  6     0  0
  5 25  1  1     0  0
 20 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 20  2  0     0  0
 28 31  2  0     0  0
 14 32  1  1     0  0
M  END
> <LM_ID>
LMST01130025

> <COMMON_NAME>
Telocinobufagin

> <SYSTEMATIC_NAME>
3beta,5beta,14beta-trihydroxy-bufa-20,22-dienolide

> <FORMULA>
C24H34O5

> <MASS>
402.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Bufanolides and derivatives [ST0113]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Telocinobufogenin

> <KEGG_ID>
C17072

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
80908

> <CAYMAN_ID>
27981

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
259991

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01130025

$$$$