LMST01130029
  LIPID_MAPS_STRUCTURE_DATABASE

 37 42  0     0  0            999 V2000
    8.2216    8.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    8.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2216    6.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1421    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0628    6.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    7.0665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    8.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0628    8.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1421    8.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0628    9.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835   10.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    9.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040    8.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7454    8.6611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7454    9.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8248   10.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9040   10.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1421    8.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8248   11.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4210   10.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6424    6.6863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9835    9.0332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0427    7.7670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1421    6.2754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6183   11.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6183   12.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8248   12.9386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0315   12.4804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0315   11.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8248   13.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9138    7.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9836   11.2423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5999   10.2174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4543    9.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3087   10.2174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4542    8.7375    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
 15 32  1  1     0  0
 14 32  1  1     0  0
 12 33  1  1     0  0
 16 34  1  1     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 35 37  2  0     0  0
M  END
> <LM_ID>
LMST01130029

> <COMMON_NAME>
12beta-hydroxycinobufagin

> <SYSTEMATIC_NAME>
3beta,12beta-dihydroxy-16beta-acetoxy-14beta,15beta-epoxy-5beta-bufa-20,22-dienolide

> <FORMULA>
C26H34O7

> <MASS>
458.23

> <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>
15513541

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01130029

$$$$