LMST03020515
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0     0  0            999 V2000
    9.2749    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4885    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    8.1234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817    9.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436    9.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436   10.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817   11.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2749    7.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3817   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2436   12.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1054   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1054   11.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293   11.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293   12.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9674   12.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1054   12.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0308    8.0441    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
   10.1054   10.4342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7233   13.1194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9674   13.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293   14.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9674   14.6733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0062   13.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8245   14.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8196   14.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8149   14.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1367    6.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293   15.1709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6767   13.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5386   14.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4005   13.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6767   12.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5386   12.1853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5386   13.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6911   15.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6911   16.6636    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
  1 30  1  1  0  0  0
 24 31  1  6  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 32 37  1  0  0  0  0
 31 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMST03020515

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

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-ethoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol

> <FORMULA>
C32H50O4

> <MASS>
498.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-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>
9547619

> <LIPIDBANK_ID>
VVD0605

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST03020515

$$$$