LMST03020524
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.3645    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    6.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    7.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768    8.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768    9.1799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3334    9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3334   10.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3645    7.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   12.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3334   12.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1899   12.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1899   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031   11.1583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031   12.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   12.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1899   12.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1899   10.4071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7978   13.0757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   13.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9031   14.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7596   13.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   14.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4726   13.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   14.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4726   12.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0466   14.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0912   13.8870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2210    8.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   13.1365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8353   14.8423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1857   13.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   12.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3292   11.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0423   14.1254    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
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  6  0  0  0
 21 29  1  1  0  0  0
 10 30  2  0  0  0  0
  3 31  1  6  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 29 34  1  0  0  0  0
 26 35  1  0  0  0  0
 27 36  1  0  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020524

> <COMMON_NAME>
(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20S)-20-methoxy-26,27-diethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C32H54O4

> <MASS>
502.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547628

> <LIPIDBANK_ID>
VVD0614

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020524

$$$$