LMST03020508
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0     0  0            999 V2000
    9.3652    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    7.8445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5893    8.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5893    9.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    9.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772   10.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340   11.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340   12.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772   12.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3652    9.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772   13.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3340   14.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   13.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   12.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9045   12.9434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9045   13.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   14.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   14.6994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1908   12.1920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7990   14.8612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   15.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9043   15.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7612   15.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6179   15.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4745   15.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3313   15.9113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4745   14.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0476   16.4059    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0921   15.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2219    9.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2218    7.8624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3313   14.9219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4772    6.8553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3339    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1906    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0474    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9041    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7608    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
 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
  2 34  1  6  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020508

> <COMMON_NAME>
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1R,2R,3R)-2-(4-hydroxybutoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C31H52O5

> <MASS>
504.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)cholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
73929

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547612

> <LIPIDBANK_ID>
VVD0598

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020508

$$$$