LMST03020093
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.2734    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4882    6.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4882    7.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    8.1221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808    9.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2421    9.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2421   10.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   11.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    7.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3808   12.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2421   12.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033   12.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033   11.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8261   11.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8261   12.1814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648   12.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033   12.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0288    8.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328    6.1399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033   10.4315    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7202   13.1150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648   13.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9648   14.6678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0042   13.9307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1346    6.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9593   13.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9540   13.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9486   13.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8098   14.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6711   13.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8098   15.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8098   13.1761    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  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
 23 24  1  1  0  0  0
 23 25  1  6  0  0  0
  1 26  1  1  0  0  0
 23 27  1  0  0  0  0
 27 28  3  0  0  0  0
 28 29  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 33 29  1  0  0  0  0
M  END
> <LM_ID>
LMST03020093

> <COMMON_NAME>
24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-24,25-epoxy-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3-diol

> <FORMULA>
C27H38O3

> <MASS>
410.28

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrocholecalciferol

> <INCHI_KEY>
HZMQSDRXOHWULA-QPGHTDHKSA-N

> <INCHI>
InChI=1S/C27H38O3/c1-17(8-13-25-26(3,4)30-25)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-29H,2,6-7,11-12,14-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C#CC4OC4(C)C)(C)[H])([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547343

> <LIPIDBANK_ID>
VVD0103

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8539786

$$$$