LMST03020488
  LIPID_MAPS_STRUCTURE_DATABASE

 38 40  0     0  0            999 V2000
    9.2747    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4884    7.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    8.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814    9.1990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    9.6967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814   11.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2747    7.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3814   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   12.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   11.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   11.1894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   12.1845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9669   12.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1050   12.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0304    8.0439    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
   10.1050   10.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7227   13.1185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9669   13.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   14.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9669   14.6723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0058   13.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8237   14.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8189   14.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8139   14.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1362    6.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8287   15.1698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6756   13.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5374   14.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3991   13.6773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5374   15.1698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3991   14.6723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3993   15.6673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2610   14.1748    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  1  0  0  0
 23 26  1  6  0  0  0
 24 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
  1 30  1  1  0  0  0
 24 31  1  1  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020488

> <COMMON_NAME>
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,22R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol

> <FORMULA>
C31H48O4

> <MASS>
484.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomocholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547592

> <LIPIDBANK_ID>
VVD0578

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020488

$$$$