LMST03020315
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.2736    6.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    6.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    7.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    8.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    9.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423    9.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423   10.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2736    7.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   12.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   13.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0291    8.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   10.7319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   13.4157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   13.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   14.9688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045   14.2316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8213   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8160   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8107   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1349    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   15.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6720   13.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5334   14.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6720   12.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5334   13.4768    0.0000 O   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
 24 23  1  0  0  0  0
 23 25  1  6  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  1  0  0  0
 24 31  1  6  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020315

> <COMMON_NAME>
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epivitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R,22S)-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol

> <FORMULA>
C28H42O4

> <MASS>
442.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-24a-homo-20-epicholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547462

> <LIPIDBANK_ID>
VVD0347

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020315

$$$$