LMST03020628
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0  0  0  0  0  0  0  0999 V2000
    6.2665    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    6.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    6.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    6.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    7.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    8.1336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    8.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964   10.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113   10.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113   11.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964   11.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814   11.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814   10.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965   10.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6817   11.0165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965   11.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4815   12.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9114   12.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6264   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3414   12.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0564   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7713   12.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4084    6.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113   12.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9114   12.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4113    9.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0564   11.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7713   12.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9814    5.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2665    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1965   13.3355    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  2 25  1  6  0  0  0
  4 26  1  1  0  0  0
 17 18  1  0  0  0  0
 11 27  1  1  0  0  0
 17 28  1  6  0  0  0
 10 29  1  6  0  0  0
 23 30  1  0  0  0  0
 23 31  1  0  0  0  0
  3 32  2  0  0  0  0
 32 33  1  0  0  0  0
 18 34  1  1  0  0  0
M  END
> <LM_ID>
LMST03020628

> <COMMON_NAME>
1alpha,25-Dihydroxy-2E-ethylidene-19-norvitamin D3

> <SYSTEMATIC_NAME>
(2E,5E,7E)-(1R,3R)-2-ethylidene-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SUUQQKHQTOSJCI-RPVLRPLJSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-6-22-25(29)17-20(18-26(22)30)11-12-21-10-8-16-28(5)23(13-14-24(21)28)19(2)9-7-15-27(3,4)31/h6,11-12,19,23-26,29-31H,7-10,13-18H2,1-5H3/b20-11-,21-12+,22-6+/t19-,23-,24+,25-,26-,28-/m1/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@@]([H])(CCCC(O)(C)C)C)CC[C@@]\23[H])/C[C@@H](O)/C(=C/C)/[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185599

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10113545

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$