LMST03020281
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.9126    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1255    6.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1255    7.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190    8.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8563    9.9237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8563   10.9191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9941   11.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9126    7.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9941   12.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8563   12.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184   12.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184   11.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429   11.4171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4429   12.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5807   12.9104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184   13.1842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7184   10.6609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3368   13.3470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5807   13.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4428   14.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5807   14.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6191   14.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3049   13.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1671   14.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   13.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8914   14.4036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0292   12.9105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    6.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190    9.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1568    9.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    9.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190   10.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8914   13.4082    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  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
 10 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
  1  9  1  0  0  0  0
  5  9  1  0  0  0  0
  7 13  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  1  0  0  0
 13 18  1  6  0  0  0
 16 19  1  6  0  0  0
 16 20  1  0  0  0  0
 21 20  1  0  0  0  0
 20 22  1  1  0  0  0
 20 23  1  6  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 26 28  1  0  0  0  0
  1 29  1  1  0  0  0
  5 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33  4  1  0  0  0  0
 30  6  1  6  0  0  0
 30 34  1  1  0  0  0
 26 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020281

> <COMMON_NAME>
(6R)-6,19-epidioxy-25-hydroxy-6,19-dihydrovitamin D3

> <SYSTEMATIC_NAME>
(7E)-(3S,6R)-6,19-epidioxy-9,10-seco-5(10),7-cholestadiene-3,25-diol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6R)-6,19-epidioxy-25-hydroxy-6,19-dihydrocholecalciferol

> <INCHI_KEY>
UDKXRKKPBOEFRD-WAEAIGQRSA-N

> <INCHI>
InChI=1S/C27H44O4/c1-18(7-5-13-26(2,3)29)23-11-12-24-19(8-6-14-27(23,24)4)15-25-22-16-21(28)10-9-20(22)17-30-31-25/h15,18,21,23-25,28-29H,5-14,16-17H2,1-4H3/b19-15+/t18-,21+,23-,24+,25-,27-/m1/s1

> <SMILES>
[C@@H]1(O)CC2[C@@]([H])(/C=C3/[C@]4([H])CC[C@@]([C@@](C)([H])CCCC(O)(C)C)([H])[C@@]4(C)CCC/3)OOCC=2CC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547444

> <LIPIDBANK_ID>
VVD0308

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
2993611

$$$$