LMST03020501
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.3644    8.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    7.8441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    8.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891    9.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    9.8940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   10.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   11.4580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   12.4470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   12.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3644    9.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767   13.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3333   14.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   13.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   12.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   12.9415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   13.9306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0465   14.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   14.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   12.1904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7976   14.8590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0465   15.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9030   15.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595   15.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6159   15.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4725   15.4142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3290   15.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4725   14.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0465   16.4033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0911   15.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    9.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2208    7.8620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4767    6.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3332    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1896    6.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0463    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9027    6.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3290   14.9197    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
  2 33  1  6  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 25 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020501

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

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

> <FORMULA>
C31H52O4

> <MASS>
488.39

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547605

> <LIPIDBANK_ID>
VVD0591

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020501

$$$$