LMST03010052
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.2736    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    6.5761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4881    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    8.1223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807    9.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423    9.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423   10.6899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807   11.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2736    7.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3807   12.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2423   12.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   12.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   11.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   11.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   12.1820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   12.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   12.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0291    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1036   10.4319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7207   13.1157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   13.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8267   14.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6880   13.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5494   14.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   13.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2723   14.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4109   12.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9652   14.6688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045   13.9316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1349    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1337   13.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5494   15.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2723   13.1768    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
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  1  0  0  0
 23 31  1  6  0  0  0
  1 32  1  1  0  0  0
 28 33  1  0  0  0  0
 26 34  1  6  0  0  0
 27 35  1  1  0  0  0
M  END
> <LM_ID>
LMST03010052

> <COMMON_NAME>
(25S)-1alpha,25,26-trihydroxyvitamin D2

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(1S,3R,25S)-9,10-seco-5,7,10(19),22-ergostatetraene-1,3,25,26-tetrol

> <FORMULA>
C28H44O4

> <MASS>
444.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(25S)-1alpha,25,26-trihydroxyergocalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547254

> <LIPIDBANK_ID>
VVD0400

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03010052

$$$$