LMST01130079
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    8.1334    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2002    8.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2002    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1334    6.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    6.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9333    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9333    8.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    8.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   10.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9333   10.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660   10.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7324    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7324   10.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7993   10.5456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660   10.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    9.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7993   11.4077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4035   10.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5328    6.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9333    9.3063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9796    8.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8660    8.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0667    6.5108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6037   11.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6037   12.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7993   13.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9954   12.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9954   11.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7993   13.9742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1350   10.5061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9334   11.5445    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
 14 25  1  1     0  0
  5 26  1  1     0  0
 20 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 20  2  0     0  0
 29 32  2  0     0  0
 11 33  1  6     0  0
 12 34  2  0     0  0
M  END
> <LM_ID>
LMST01130079

> <COMMON_NAME>
Arenobufagin

> <SYSTEMATIC_NAME>
12-oxo-3beta,11alpha,14beta-trihydroxy-5beta-bufa-20,22-dienolide

> <FORMULA>
C24H32O6

> <MASS>
416.22

> <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>
197067

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305198

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST01130079

$$$$