LMST03020440
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.3636    8.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    7.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    8.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5889    9.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    9.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762   10.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   11.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   12.4453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762   12.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3636    9.3807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762   13.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   13.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   12.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9016   12.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9016   13.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   14.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   12.1889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963   14.8567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   15.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9015   15.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7578   15.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6141   15.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4703   15.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3267   15.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4703   14.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0452   16.4006    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0902   15.6678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    9.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2199    7.8616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3266   14.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4762    6.8550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3325    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1887    6.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0450    6.3606    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
 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
  3 30  1  6  0  0  0
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
  2 34  1  6  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <LM_ID>
LMST03020440

> <COMMON_NAME>
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,2R,3R)-2-(2-hydroxyethoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C29H48O5

> <MASS>
476.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)cholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
168694

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547546

> <LIPIDBANK_ID>
VVD0530

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020440

$$$$