LMST03020585
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    9.3565    6.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865    6.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5865    7.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    8.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715    9.1704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254    9.6636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254   10.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715   11.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3565    7.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4715   12.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254   12.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793   12.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793   11.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874   11.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8874   12.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0334   12.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793   12.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1793   10.3938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0334   13.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8873   14.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7413   13.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5951   14.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491   13.6079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3030   14.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4491   12.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0334   14.5939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2104    8.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2103    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3030   13.1149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795   14.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795   15.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256   15.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716   15.0869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4716   14.1010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3256   13.6079    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  2  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
 21 20  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
 24 26  1  0  0  0  0
 20 27  1  6  0  0  0
 10 28  2  0  0  0  0
  3 29  1  6  0  0  0
  1 30  1  1  0  0  0
 24 31  1  0  0  0  0
 20 32  1  1  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
M  END
> <LM_ID>
LMST03020585

> <COMMON_NAME>
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,20R)-20-phenyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol

> <FORMULA>
C32H44O3

> <MASS>
476.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norcholecalciferol

> <INCHI_KEY>
VYGZKNHJYRSENF-SUAJYVKGSA-N

> <INCHI>
InChI=1S/C32H44O3/c1-22-25(20-26(33)21-30(22)34)15-14-24-12-8-19-32(4)28(24)16-17-29(32)27(13-9-18-31(2,3)35)23-10-6-5-7-11-23/h5-7,10-11,14-15,17,26-28,30,33-35H,1,8-9,12-13,16,18-21H2,2-4H3/b24-14+,25-15-/t26-,27-,28+,30+,32+/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC=C([C@](C4C=CC=CC=4)([H])CCCC(O)(C)C)[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547680

> <LIPIDBANK_ID>
VVD0686

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$