LMST01080012
  LIPID_MAPS_STRUCTURE_DATABASE

 44 50  0     0  0            999 V2000
   10.2590    9.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2590    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869    7.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869    8.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442    9.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016    8.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442   10.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869   10.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6295   10.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6295    9.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3149    9.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3149   10.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4721   10.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6295   10.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016    9.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7869    9.5954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9257    8.4362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6295    8.4997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1573   10.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4721   11.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9097   12.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7309   12.6862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1485   11.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2683   11.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3951   11.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8574   12.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165    7.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738    7.3088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016    7.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1016    6.8223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442    7.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442    6.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165    8.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738    9.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5738   10.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7311   10.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1891   11.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8317   10.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8595   11.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0883   12.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4165   10.7143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9775   12.7110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9174   12.4591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
 33 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 29  1  0  0  0  0
 29 31  1  0  0  0  0
 31  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  6  1  0  0  0  0
 29  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  1  0  0  0
  6 15  1  1  0  0  0
  4 16  1  1  0  0  0
  5 17  1  6  0  0  0
 10 18  1  6  0  0  0
 12 19  1  1  0  0  0
 13 20  1  1  0  0  0
 20 21  1  6  0  0  0
 23 22  1  6  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 43 26  1  0  0  0  0
 26 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 19  1  0  0  0  0
 27 28  1  1  0  0  0
 29 30  1  6  0  0  0
 31 32  1  1  0  0  0
 33 34  1  6  0  0  0
 34 35  1  0  0  0  0
 35 42  2  0  0  0  0
 35 36  1  0  0  0  0
 39 36  2  0  0  0  0
 36 40  1  0  0  0  0
 37 38  2  0  0  0  0
 37 41  1  0  0  0  0
 38 39  1  0  0  0  0
 40 41  2  0  0  0  0
 43 25  1  1  0  0  0
 43 44  1  0  0  0  0
M  END
> <LM_ID>
LMST01080012

> <COMMON_NAME>
Karatavegenin B

> <SYSTEMATIC_NAME>
(25R)-2-O-benzoyl-spirostan-2alpha,3beta,5alpha,6beta-tetrol

> <FORMULA>
C34H48O7

> <MASS>
568.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(25R)-2alpha-benzoyloxy-spirostan-3beta,5alpha,6beta-triol; Karatavigenin B

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931437

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST01080012

$$$$