LMST03020162
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.3612    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    6.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    8.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745    9.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301    9.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   10.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3612    7.8962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3301   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967   11.4519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967   12.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   12.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   13.2054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1855   10.7016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7914   13.3671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8965   14.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7522   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6076   14.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   13.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0411   14.9094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0870   14.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2165    8.3900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2165    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4631   14.9094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2582   13.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2460   13.0661    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
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 21 26  1  1  0  0  0
 21 27  1  6  0  0  0
  3 28  1  6  0  0  0
 10 29  2  0  0  0  0
  1 30  1  1  0  0  0
 24 31  1  0  0  0  0
 31 25  1  0  0  0  0
 23 32  1  0  0  0  0
 23 33  1  0  0  0  0
M  END
> <LM_ID>
LMST03020162

> <COMMON_NAME>
24,25-epoxy-1alpha-hydroxy-23,23-dimethyl-26,27-dinorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-24,25-epoxy-23,23-dimethyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24,25-epoxy-1alpha-hydroxy-23,23-dimethyl-26,27-dinorcholecalciferol

> <INCHI_KEY>
SFJYUNZVLXMJBD-GEAASLKWSA-N

> <INCHI>
InChI=1S/C27H42O3/c1-17(15-26(3,4)25-16-30-25)22-10-11-23-19(7-6-12-27(22,23)5)8-9-20-13-21(28)14-24(29)18(20)2/h8-9,17,21-25,28-29H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/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)([H])CC(C)(C)C4OC4)([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>
9547393

> <LIPIDBANK_ID>
VVD0180

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
8539786

$$$$