LMST03020511
  LIPID_MAPS_STRUCTURE_DATABASE

 40 42  0     0  0            999 V2000
   11.9936    6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2174    6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2174    7.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054    8.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054    9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    9.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   10.9661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054   11.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9936    7.8989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1054   12.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625   12.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   12.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   11.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5335   11.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5335   12.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6765   12.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   13.2175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8194   10.7094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4281   13.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6765   13.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5335   14.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3905   13.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2475   14.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1044   13.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9614   14.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1044   12.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6765   14.9244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7207   14.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8506    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3604    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8505    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9614   13.4402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485   12.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3914   13.4401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5345   13.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5450   13.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0502   14.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   14.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5449   15.6487    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  2  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  0  0  0  0
 34 35  3  0  0  0  0
 35 36  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 38 40  2  0  0  0  0
M  END
> <LM_ID>
LMST03020511

> <COMMON_NAME>
11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-11-(3-acetoxy-1-propynyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol

> <FORMULA>
C32H46O5

> <MASS>
510.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547615

> <LIPIDBANK_ID>
VVD0601

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020511

$$$$