LMST03020461
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
    9.3629    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5885    6.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5885    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    8.4093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756    9.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318    9.9725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318   10.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3629    7.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4756   12.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3318   12.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   12.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   11.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   12.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   12.9381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   13.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1878   10.7045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7947   13.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   13.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   14.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   14.9149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0892   14.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2188    8.3914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2189    6.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8884   14.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7445   13.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6005   14.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4565   13.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3126   14.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4565   12.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3126   13.4323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1686   13.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3126   12.4439    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
 21 23  1  6  0  0  0
 21 24  1  1  0  0  0
  3 25  1  6  0  0  0
 10 26  2  0  0  0  0
  1 27  1  1  0  0  0
 22 28  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
> <LM_ID>
LMST03020461

> <COMMON_NAME>
(22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epivitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E,22Z)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol

> <FORMULA>
C30H48O3

> <MASS>
456.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epicholecalciferol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547566

> <LIPIDBANK_ID>
VVD0551

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020461

$$$$