LMST01120002
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0  0  0  0  0  0  0  0999 V2000
    6.9838    7.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692    6.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838    5.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4134    5.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1280    6.0728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4134    8.1361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    7.0558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692    6.0728    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6986    6.0728    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6986    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6986    6.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6986    7.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4134    7.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4134    6.4855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8428    7.3108    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8428    6.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1280    8.5487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1280    9.3740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8428    8.1361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8428    8.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6327    9.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3739    9.8685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8414    9.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6543   10.2477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8764   10.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6003   11.2892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6277    8.3912    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4249    8.6048    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1280    6.8981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1280    7.7234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1128    7.7234    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9381    7.7234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  1  0  0  0  0
  8  3  1  0  0  0  0
  3  9  1  0  0  0  0
 13 11  1  0  0  0  0
 11  9  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 29  1  0  0  0  0
 29 15  1  0  0  0  0
 13 29  1  0  0  0  0
  6 13  1  0  0  0  0
 17  6  1  0  0  0  0
 17 19  1  0  0  0  0
 27 19  1  0  0  0  0
 19 15  1  0  0  0  0
 15  7  1  0  0  0  0
 27 31  1  0  0  0  0
  7 31  1  0  0  0  0
  8 33  1  1  0  0  0
  9 10  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  6  0  0  0
 15 16  1  1  0  0  0
 17 18  1  1  0  0  0
 19 20  1  1  0  0  0
 27 23  1  0  0  0  0
 21 24  1  0  0  0  0
 21 23  1  0  0  0  0
 24 25  1  0  0  0  0
 25 22  1  0  0  0  0
 22 23  2  0  0  0  0
 25 26  2  0  0  0  0
 27 28  1  6  0  0  0
 29 30  1  1  0  0  0
 31 32  1  1  0  0  0
M  END
> <LM_ID>
LMST01120002

> <COMMON_NAME>
diginatigenin

> <SYSTEMATIC_NAME>
3beta,12beta,14,16beta-tetrahydroxy-5beta-card-20(22)-enolide

> <FORMULA>
C23H34O6

> <MASS>
406.24

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
38095

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15558753

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01120002

$$$$