LMST03020556
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.3613    8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    7.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    8.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5881    9.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    9.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747   10.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303   11.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3613    9.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3303   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   14.6873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857   12.1835    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7916   14.8487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   15.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8968   15.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7524   15.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6078   15.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4633   15.4034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3188   15.8974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4633   14.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0413   16.3913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872   15.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2167    7.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3188   14.9096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747    6.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    6.3607    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
  1 31  1  1  0  0  0
 25 32  1  0  0  0  0
  2 33  1  6  0  0  0
 33 34  1  0  0  0  0
M  END
> <LM_ID>
LMST03020556

> <COMMON_NAME>
1alpha,25-dihydroxy-2beta-hydroxymethyl-19-norvitamin D3

> <SYSTEMATIC_NAME>
(7E)-(1R,2R,3R)-2-hydroxymethyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol

> <FORMULA>
C27H46O4

> <MASS>
434.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-2beta-hydroxymethyl-19-norcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547654

> <LIPIDBANK_ID>
VVD0657

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020556

$$$$