LMST03020453
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0     0  0            999 V2000
    9.2742    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4882    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4882    7.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811    8.1228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811    9.1985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2430    9.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2430   10.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811   11.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2742    7.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811   12.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2430   12.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045   12.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045   11.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280   11.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280   12.1837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663   12.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045   12.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0299    8.0436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1045   10.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7220   13.1176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663   13.6761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8279   14.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9663   14.6710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0053   13.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8229   14.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8178   14.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8127   14.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8127   13.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6744   14.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6744   13.6761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1358    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8279   15.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6896   15.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6744   12.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5361   14.1736    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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  1  6  0  0  0
 23 26  1  1  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  1 33  1  1  0  0  0
 24 34  1  6  0  0  0
 34 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
M  END
> <LM_ID>
LMST03020453

> <COMMON_NAME>
(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol

> <FORMULA>
C30H46O4

> <MASS>
470.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epicholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547558

> <LIPIDBANK_ID>
VVD0543

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020453

$$$$