LMST03020587
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
   11.1976    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4336    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4336    7.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155    8.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155    9.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1668    9.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1668   10.6341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155   11.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1976    7.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3155   12.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1668   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0177   12.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0177   11.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7200   11.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7200   12.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8688   12.5998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0177   10.3792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6153   13.0307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8688   13.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7200   14.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0486    8.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5826    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0485    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0178   13.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0179   14.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1667   13.5822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3157   13.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4646   13.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6136   13.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626   13.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9114   13.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605   13.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7626   14.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9114   14.0736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9114   15.0562    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
 14 18  1  6  0  0  0
 17 19  1  6  0  0  0
 17 20  1  0  0  0  0
 21 20  1  0  0  0  0
 10 22  2  0  0  0  0
  3 23  1  6  0  0  0
  1 24  1  1  0  0  0
 13 25  1  1  0  0  0
 20 26  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  1  0  0  0  0
 31 35  1  0  0  0  0
 34 36  1  0  0  0  0
M  END
> <LM_ID>
LMST03020587

> <COMMON_NAME>
1alpha-hydroxy-18-(4-hydroxy-4-ethylhexyloxy)-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-(4-hydroxy-4-ethylhexyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol

> <FORMULA>
C30H50O4

> <MASS>
474.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-18-(4-hydroxy-4-ethylhexyloxy)-23,24,25,26,27-pentanorcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547682

> <LIPIDBANK_ID>
VVD0689

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020587

$$$$