LMST03020255
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0     0  0            999 V2000
    9.3593    6.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874    6.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5874    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    8.1067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734    9.1740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3283    9.6677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3283   10.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734   11.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3593    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4734   12.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3283   12.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832   12.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832   11.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   11.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   12.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0381   12.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832   12.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1832   10.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7878   13.0621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0381   13.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   14.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7479   13.6163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6027   14.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0381   14.6035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0846   13.8718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2141    8.0886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2142    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3994   14.9648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3866   14.9648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8930   15.8196    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
 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
 21 25  1  1  0  0  0
 21 26  1  6  0  0  0
  3 27  1  6  0  0  0
 10 28  2  0  0  0  0
  1 29  1  1  0  0  0
 22 30  1  0  0  0  0
 22 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020255

> <COMMON_NAME>
22-ethyl-1alpha,22-dihydroxy-25,26,27-trinorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-22-ethyl-9,10-seco-5,7,10(19)-cholatriene-1,3,22-triol

> <FORMULA>
C26H42O3

> <MASS>
402.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
22-ethyl-1alpha,22-dihydroxy-25,26,27-trinorcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547436

> <LIPIDBANK_ID>
VVD0282

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020255

$$$$