LMST03020177
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    9.3511    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847    6.8705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    8.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678    9.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3202    9.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3202   10.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678   11.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3511    7.8904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4678   12.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3202   12.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   12.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   11.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8769   11.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8769   12.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0247   12.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   13.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1724   10.6851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0247   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0247   14.8769    0.0000 H   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
   10.2032    8.3823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2033    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8768   13.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1726   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3203   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4681   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   13.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7636   14.3849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6160   12.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7636   13.4007    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
 14 19  1  6  0  0  0
 17 20  1  0  0  0  0
 20 21  1  1  0  0  0
  3 22  1  6  0  0  0
 10 23  2  0  0  0  0
  1 24  1  1  0  0  0
 17 25  1  6  0  0  0
 20 25  1  6  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020177

> <COMMON_NAME>
(17S,20R)-1alpha,25-dihydroxy-17,20-methano-21-norvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,17S,20R)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C27H42O3

> <MASS>
414.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(17S,20R)-1alpha,25-dihydroxy-17,20-methano-21-norcholecalciferol

> <INCHI_KEY>
XCUVBGNTCMZQAU-FFDNLMTISA-N

> <INCHI>
InChI=1S/C27H42O3/c1-18-20(15-22(28)16-24(18)29)10-9-19-7-5-13-26(4)23(19)11-14-27(26)17-21(27)8-6-12-25(2,3)30/h9-10,21-24,28-30H,1,5-8,11-17H2,2-4H3/b19-9+,20-10-/t21-,22-,23+,24+,26+,27+/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]4(C[C@]4(CCCC(O)(C)C)[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>
9547397

> <LIPIDBANK_ID>
VVD0195

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$