LMST01130021
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    8.3277    8.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    8.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3952    7.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3277    6.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    7.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927    6.6193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    7.1577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    8.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927    8.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    8.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1927    9.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253   10.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0577    9.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0577    8.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9229    8.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9229    9.8496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   10.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0577   10.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    8.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   11.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5943   10.7369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7282    6.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1253    9.1498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1723    7.8672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2601    6.3564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7942   11.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7942   12.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   13.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1868   12.6415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1868   11.7137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904   13.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1311    7.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3278    9.7723    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
  1 33  1  1     0  0
M  END
> <LM_ID>
LMST01130021

> <COMMON_NAME>
1beta-hydroxybufalin

> <SYSTEMATIC_NAME>
1beta,3beta,14beta-trihydroxy-5beta-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>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10993111

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01130021

$$$$