LMST01080025
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0  0  0  0  0  0  0  0999 V2000
    6.9433    7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    5.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265    5.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265    6.6038    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3321    7.0048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6375    6.6038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3321    7.8067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210    7.8067    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7210    7.0048    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1101    7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1101    7.8067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4154    8.2076    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7210    8.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375    7.1654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265    7.2854    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3169    6.3304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210    6.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8045    8.2076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4154    9.0096    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9519    9.4731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2770    9.8328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7970    9.0014    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7201    9.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6486    9.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2055    9.5895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487    5.8019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.4009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375    5.8019    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6375    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1287    9.8531    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1135   10.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2487    6.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3321    5.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265    8.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0265    9.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
 32 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28 33  1  0  0  0  0
 33  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 34  1  0  0  0  0
 34  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
  1  6  1  0  0  0  0
 28  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  1  6  0  0  0
 22 23  1  1  0  0  0
 23 24  1  0  0  0  0
 30 25  1  0  0  0  0
 25 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 18  1  0  0  0  0
 26 27  1  1  0  0  0
 28 29  1  6  0  0  0
 30 24  1  1  0  0  0
 30 31  1  0  0  0  0
 34 35  2  0  0  0  0
M  END
> <LM_ID>
LMST01080025

> <COMMON_NAME>
Sisalagenin

> <SYSTEMATIC_NAME>
(25S)-12-oxo-5alpha-spirostan-3beta-ol

> <FORMULA>
C27H42O4

> <MASS>
430.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(25S)-3beta-hydroxy-5alpha-spirostan-12-one

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
178608

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305694

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01080025

$$$$