LMST01080034
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0  0  0  0  0  0  0  0999 V2000
    6.2470    6.5995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0176    5.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0176    6.5995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3249    6.9994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6322    6.5995    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3249    7.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    7.7992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7103    6.9994    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.0954    6.9994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0954    7.7992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4028    8.1992    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7103    8.4192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    7.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0176    7.2794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3097    6.3267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7103    6.3789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7882    8.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4028    8.9991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9405    9.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2594    9.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7806    8.9908    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6275    9.0112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1063    9.8405    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.1857    9.5774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0772   10.5373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2470    5.7998    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6322    5.7998    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.7013    9.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3249    5.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0176    8.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396    6.9994    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9396    7.7992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6322    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 33  1  1  0  0  0  0
  1 27  1  0  0  0  0
 27  2  1  0  0  0  0
  2 28  1  0  0  0  0
 28 30  1  0  0  0  0
 30  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 31  1  0  0  0  0
 31  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
 33  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 29  1  1  0  0  0
 29 23  1  0  0  0  0
 24 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
 24 26  1  0  0  0  0
 27 32  1  1  0  0  0
 28 35  1  1  0  0  0
 24 23  1  1  0  0  0
 33 34  1  1  0  0  0
M  END
> <LM_ID>
LMST01080034

> <COMMON_NAME>
Convallagenin  A

> <SYSTEMATIC_NAME>
(25S)-spirostan-1beta,3beta,5beta-triol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C08890

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
3862

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441880

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01080034

$$$$