LMST03020590
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
   12.0609    6.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2934    6.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2934    7.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770    8.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770    9.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300    9.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300   10.6435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770   11.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0609    7.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770   12.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300   12.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826   12.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826   11.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5883   11.1360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5883   12.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   12.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8826   10.3881    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4835   13.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7356   13.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5883   14.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9137    8.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4407    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9137    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8828   13.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8829   14.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0300   13.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1772   13.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3244   13.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3244   14.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4716   15.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   14.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188   13.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4716   13.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7661   13.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9134   13.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7661   12.1207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9134   12.6129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9134   11.6283    0.0000 C   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
 14 18  1  6  0  0  0
 17 19  1  6  0  0  0
 17 20  1  0  0  0  0
 21 20  1  0  0  0  0
 10 22  2  0  0  0  0
  3 23  1  6  0  0  0
  1 24  1  1  0  0  0
 13 25  1  1  0  0  0
 20 26  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 36 39  1  0  0  0  0
 37 40  1  0  0  0  0
M  END
> <LM_ID>
LMST03020590

> <COMMON_NAME>
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol

> <FORMULA>
C34H50O4

> <MASS>
522.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547685

> <LIPIDBANK_ID>
VVD0692

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020590

$$$$