LMST03020450
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.2741    6.5761    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    6.5761    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    8.1227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811    9.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428    9.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428   10.6907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811   11.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2741    7.6072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3811   12.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2428   12.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   12.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   11.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276   11.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276   12.1832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659   12.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   12.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0296    8.0434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1042   10.4326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7216   13.1170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659   13.6755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1355    6.0787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8274   14.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6891   14.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496   15.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4113   14.6708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2725   15.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1342   14.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9659   14.6703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2720   16.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1337   15.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1336   16.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9959   15.1691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0050   13.9330    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
  1 24  1  1  0  0  0
 23 25  1  0  0  0  0
 25 26  3  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 23 31  1  1  0  0  0
 29 32  1  0  0  0  0
 29 33  1  0  0  0  0
 32 34  1  0  0  0  0
 30 35  1  0  0  0  0
 23 36  1  6  0  0  0
M  END
> <LM_ID>
LMST03020450

> <COMMON_NAME>
1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547555

> <LIPIDBANK_ID>
VVD0540

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020450

$$$$