LMST03020538
  LIPID_MAPS_STRUCTURE_DATABASE

 42 45  0     0  0            999 V2000
   11.2371    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4596    6.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4596    7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484    8.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484    9.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061    9.6790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061   10.6692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484   11.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2371    7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3484   12.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2061   12.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   12.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   11.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788   11.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788   12.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212   12.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   12.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   10.4124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6734   13.0843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212   13.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7788   14.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6364   13.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4940   14.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3515   13.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2091   14.1353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3515   12.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9212   14.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9647   13.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0947    8.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6021    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0946    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2091   13.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908   12.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4908   13.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6332   14.1352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756   13.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7756   12.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6332   12.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181   14.1352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9181   15.1254    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
 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
 10 30  2  0  0  0  0
  3 31  1  6  0  0  0
  1 32  1  1  0  0  0
 25 33  1  0  0  0  0
 11 34  1  6  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 34  1  0  0  0  0
 37 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <LM_ID>
LMST03020538

> <COMMON_NAME>
11alpha-(4-dimethylaminophenyl)-1alpha,25-dihydroxyvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,11S)-11-(4-dimethylaminophenyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C35H53NO3

> <MASS>
535.40

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11alpha-(4-dimethylaminophenyl)-1alpha,25-dihydroxycholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547642

> <LIPIDBANK_ID>
VVD0630

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020538

$$$$