LMST03020592
  LIPID_MAPS_STRUCTURE_DATABASE

 36 38  0     0  0            999 V2000
   11.5455    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6634    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7815    6.5698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7815    7.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6634    8.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6634    9.1600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5146    9.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5146   10.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6634   11.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5455    7.5883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6634   12.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5146   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3655   12.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3655   11.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0679   11.1257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0679   12.1084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2168   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3655   10.3793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9632   13.0308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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   14.0678   14.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3965    8.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9305    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3964    6.0786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3656   13.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3657   14.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5146   13.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6808   13.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981   13.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7153   13.0911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240   13.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2240   12.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.0911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414   12.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2414   13.9421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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M  END
> <LM_ID>
LMST03020592

> <COMMON_NAME>
1alpha-hydroxy-18-(4-hydroxy-4-ethyl-2-hexynyloxy)-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-(4-hydroxy-4-ethyl-2-hexynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol

> <FORMULA>
C30H46O4

> <MASS>
470.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-18-(4-hydroxy-4-ethyl-2-hexynyloxy)-23,24,25,26,27-pentanorcholecalciferol

> <INCHI_KEY>
OPYCSNHOPFYNHC-HRCJOXNPSA-N

> <INCHI>
InChI=1S/C30H46O4/c1-6-29(33,7-2)15-9-17-34-20-30-16-8-10-23(27(30)14-13-26(30)21(3)4)11-12-24-18-25(31)19-28(32)22(24)5/h11-12,21,25-28,31-33H,5-8,10,13-14,16-20H2,1-4H3/b23-11+,24-12-/t25-,26-,27+,28+,30+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547687

> <LIPIDBANK_ID>
VVD0694

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$