LMST01130022
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.3281    8.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    8.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    7.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3281    6.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    7.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    6.6196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258    7.1581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258    8.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    8.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    8.2349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    9.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258   10.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    9.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583    8.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9235    8.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9235    9.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   10.3886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0583   10.6848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    8.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   11.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5949   10.7374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7285    6.7730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1258    9.1502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1728    7.8676    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2606    6.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7948   11.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7948   12.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   13.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1874   12.6421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1874   11.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9910   13.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1317    7.9168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7891   10.3498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6546    9.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5201   10.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6545    8.8507    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
 16 33  1  1     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 34 36  2  0     0  0
M  END
> <LM_ID>
LMST01130022

> <COMMON_NAME>
5beta-hydroxybufotalin

> <SYSTEMATIC_NAME>
3beta,5beta,14beta-trihydroxy-16beta-acetoxy-bufa-20,22-dienolide

> <FORMULA>
C26H36O7

> <MASS>
460.25

> <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>
15513540

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01130022

$$$$