LMST03020527
  LIPID_MAPS_STRUCTURE_DATABASE

 40 42  0     0  0            999 V2000
    9.3658    8.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777    7.8449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5896    8.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5896    9.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777    9.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777   10.9658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348   11.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348   12.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777   12.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3658    9.3832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777   13.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3348   14.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   13.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   12.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9058   12.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9058   13.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487   14.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   14.7017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1916   12.1935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8004   14.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487   15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9057   15.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7627   15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6196   15.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4766   15.4190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3336   15.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4766   14.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0487   16.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0930   15.6752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2228    9.8779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2227    7.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4777    6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3345    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1915    6.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0486    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9055    6.8554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7624    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6194    6.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3336   14.9242    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
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
> <LM_ID>
LMST03020527

> <COMMON_NAME>
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3

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

> <FORMULA>
C32H54O5

> <MASS>
518.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)cholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547631

> <LIPIDBANK_ID>
VVD0617

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020527

$$$$