LMST03020506
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.3638    6.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    6.5730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    7.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    8.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    9.1791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3327    9.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3327   10.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763   11.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3638    7.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763   12.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3327   12.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   12.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   11.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9017   11.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9017   12.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0454   12.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   12.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   10.4059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7964   13.0737    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0454   13.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9017   14.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7579   13.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6143   14.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4706   13.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3268   14.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4706   12.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0454   14.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0903   13.8849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2201    8.0921    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
   15.3268   13.1346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1831   13.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3268   12.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0393   14.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3268   11.1571    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
 25 32  1  0  0  0  0
  1 33  1  1  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
M  END
> <LM_ID>
LMST03020506

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

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

> <FORMULA>
C31H52O4

> <MASS>
488.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547610

> <LIPIDBANK_ID>
VVD0596

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020506

$$$$