LMST03020446
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.2737    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    8.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    9.1978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424    9.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424   10.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2737    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   12.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2424   12.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   12.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8269   11.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8269   12.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9654   12.6797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   12.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0292    8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1037   10.4320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7208   13.1160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9654   13.6744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1350    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8268   14.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1040   14.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6882   14.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5486   15.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4102   14.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2713   15.1674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1330   14.6704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2708   16.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1325   15.6651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1322   16.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9944   15.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
  1 24  1  1  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25 27  3  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020446

> <COMMON_NAME>
1alpha,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydro-24a-homovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),20-cholestatetraen-22-yne-1,3,25-triol

> <FORMULA>
C30H44O3

> <MASS>
452.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydro-24a-homocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547552

> <LIPIDBANK_ID>
VVD0536

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020446

$$$$