LMST01080004
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0  0  0  0  0  0  0  0999 V2000
    6.9365    7.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9365    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3186    5.6261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098    6.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098    6.8231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3186    7.2221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6276    6.8231    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3186    8.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098    8.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007    8.0201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7007    7.2221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0829    8.0201    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3919    8.4191    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7007    8.6386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6276    7.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0098    7.5015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3034    6.5510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7007    6.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7741    8.4191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3919    9.2172    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9305    9.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2443   10.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7665    9.2089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.6850    9.4716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6091    9.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1683    9.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2456    6.0252    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.6262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6276    6.0252    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6276    5.2272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2456    6.8231    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.0829    7.2221    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.2221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7741    6.8231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0869   10.0566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.8577    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
 31 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 29  1  0  0  0  0
 29  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  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 32  1  0  0  0  0
 32 12  1  0  0  0  0
 12 13  1  0  0  0  0
  1  7  1  0  0  0  0
 29  7  1  0  0  0  0
  6  7  1  0  0  0  0
  5 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 14  1  1  0  0  0
  7 15  1  1  0  0  0
  5 16  1  1  0  0  0
  6 17  1  6  0  0  0
 11 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
 35 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 33  1  6  0  0  0
 32 34  1  1  0  0  0
 35 25  1  1  0  0  0
 35 36  1  0  0  0  0
M  END
> <LM_ID>
LMST01080004

> <COMMON_NAME>
Digitogenin

> <SYSTEMATIC_NAME>
(25R)-5alpha-spirostan-2alpha,3beta,15beta-triol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Digitogenin

> <KEGG_ID>
C08896

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
28431

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441886

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMST01080004

$$$$