LMST03020539
  LIPID_MAPS_STRUCTURE_DATABASE

 44 47  0     0  0            999 V2000
   12.3311    6.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5529    6.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5529    7.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419    8.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419    9.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000    9.6805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   10.6712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419   11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3311    7.6006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4419   12.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3000   12.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1579   12.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1579   11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8739   11.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8739   12.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0159   12.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1579   12.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1579   10.4142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7683   13.0871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0159   13.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8739   14.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7317   13.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5897   14.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4476   13.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3055   14.1386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4476   12.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0159   14.6339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0590   13.8997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1890    8.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6949    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1890    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3055   13.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841   12.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5841   13.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262   14.1385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8683   13.6431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8683   12.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7262   12.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105   14.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0105   15.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525   15.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1525   16.6150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   15.1291    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  2  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  1  0  0  0
 21 29  1  6  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
 11 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
M  END
> <LM_ID>
LMST03020539

> <COMMON_NAME>
11-(4-acetoxymethylphenyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-11-(4-acetoxymethylphenyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol

> <FORMULA>
C36H50O5

> <MASS>
562.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-(4-acetoxymethylphenyl)-1alpha,25-dihydroxy-9,11-didehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547643

> <LIPIDBANK_ID>
VVD0631

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020539

$$$$