LMST03020439
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.3628    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5884    6.8728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5884    7.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    8.4094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755    9.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318    9.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318   10.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3628    7.8971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4755   12.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318   12.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   12.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   12.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439   12.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   13.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   10.7044    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7947   13.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439   13.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8999   14.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7560   13.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6120   14.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4680   13.9264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3240   14.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4680   12.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0439   14.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0891   14.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2187    8.3913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2188    6.3786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3240   13.4322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1799   13.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3240   12.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8999   15.4090    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
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 22 36  1  1  0  0  0
M  END
> <LM_ID>
LMST03020439

> <COMMON_NAME>
(22S)-1alpha,22,25-trihydroxy-26,27-dimethylvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,22S)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol

> <FORMULA>
C29H48O4

> <MASS>
460.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S)-1alpha,22,25-trihydroxy-26,27-dimethylcholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547545

> <LIPIDBANK_ID>
VVD0529

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020439

$$$$