LMST01120005
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
    8.4653    8.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    8.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    6.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    9.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8821    8.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317    8.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    8.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1981    7.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    8.8616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    7.8613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644   10.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307    9.8620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9307   10.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1003   11.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5745   11.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1412   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1265   12.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1836   12.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8489   13.6840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8821   10.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8485   10.4301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644    8.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0644    9.3618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4701    9.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3317    9.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4653    9.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  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
 11 10  1  0  0  0  0
 10  9  1  0  0  0  0
  9  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 26  1  0  0  0  0
 26 13  1  0  0  0  0
 11 26  1  0  0  0  0
  6 11  1  0  0  0  0
 15  6  1  0  0  0  0
 15 16  1  0  0  0  0
 24 16  1  0  0  0  0
 16 13  1  0  0  0  0
 13  7  1  0  0  0  0
 24 28  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  1  0  0  0
  9 30  1  1  0  0  0
 10 31  1  1  0  0  0
 11 12  1  6  0  0  0
 13 14  1  1  0  0  0
 16 17  1  1  0  0  0
 24 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 19  1  0  0  0  0
 19 20  2  0  0  0  0
 22 23  2  0  0  0  0
 24 25  1  6  0  0  0
 26 27  1  1  0  0  0
 31 32  2  0  0  0  0
M  END
> <LM_ID>
LMST01120005

> <COMMON_NAME>
Strophanthidin

> <SYSTEMATIC_NAME>
3beta,5,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide

> <FORMULA>
C23H32O6

> <MASS>
404.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cardanolides and derivatives [ST0112]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta-Hydroxy-19-oxodigitoxigenin; Convallatoxigenin; Corchorgenin; Corchorin; Corchoside A aglycon; Corchsularin; Erysimupicrone; Strophanthidin K; Strophanthidine

> <INCHI_KEY>
ODJLBQGVINUMMR-HZXDTFASSA-N

> <INCHI>
InChI=1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3/t15-,16+,17-,18+,20+,21-,22-,23-/m0/s1

> <SMILES>
C1[C@@]2(C=O)[C@](O)(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)CC[C@]2([H])C2=CC(=O)OC2)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
38178

> <ABBREVIATION>
ST 23:4;O6

> <CAYMAN_ID>
39244

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6185

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
992788

> <CITATION>
-

$$$$