LMST01080023
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.9444    7.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9444    5.8025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0290    6.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0290    7.0062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3342    7.4075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6391    7.0062    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3342    8.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0290    8.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7240    8.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7240    7.4075    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1141    7.4075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1141    8.2100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4190    8.6111    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7240    8.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    7.5683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0290    7.6883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3190    6.7326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7240    6.7848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8090    8.6111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4190    9.4137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9551    9.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2818   10.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8015    9.4054    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7252    9.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6543    9.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2109    9.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    6.2038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5546    5.8025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    6.2038    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1347   10.2577    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.1196   10.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2494    7.0062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3342    5.8025    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5544    7.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3342    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6391    5.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
 32 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 29  1  0  0  0  0
 29 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  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
 30 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 36  1  6  0  0  0
 30 25  1  1  0  0  0
 30 31  1  0  0  0  0
 32 34  1  6  0  0  0
 33 35  1  1  0  0  0
M  END
> <LM_ID>
LMST01080023

> <COMMON_NAME>
Neoallilogenin

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

> <FORMULA>
C27H44O6

> <MASS>
464.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
186138

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931440

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
STEROID SAPONINS 
S. B. MAHATO, A. N. GANGULY and N. P. SAHU 
Phytochemistry, Vol. 21, No. 5. pp. 959-978, 1982

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST01080023

$$$$