LMST03020612
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
   11.5540   10.8599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207   11.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207   12.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540   12.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874   12.3611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874   11.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   11.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9607   11.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   12.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207   13.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   13.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2357   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1024   13.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9691   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8357   13.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540    9.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5093   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7024   14.1693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8357   12.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874    9.3628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874    8.3620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8207    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8207    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6874    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540    6.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5540    7.8617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207   10.3595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4172    8.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9576    6.3627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7024   13.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0909    6.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    6.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    6.8630    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.0909    7.8597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   14.6717    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2391   13.1706    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3 10  1  1  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
  1 16  2  0  0  0  0
 11 17  1  6  0  0  0
 15 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
  2 27  1  6  0  0  0
 26 28  2  0  0  0  0
 23 29  1  6  0  0  0
 15 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 31 34  2  0  0  0  0
 11 35  1  1  0  0  0
  9 36  1  6  0  0  0
M  END
> <LM_ID>
LMST03020612

> <COMMON_NAME>
25-Hydroxyvitamin D3-bromoacetate

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S)-3-(2-bromo-acetoxy)-9,10-seco-5,7,10(19)-cholestatrien-25-ol

> <FORMULA>
C29H45O3Br

> <MASS>
520.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11752754

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020612

$$$$