LMST03020566
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    7.8318    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462    8.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462    9.4728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8009    9.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8009   10.9530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8318    7.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8009   12.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645   11.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645   12.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101   12.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   13.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   10.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594   13.3594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101   13.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3645   14.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2191   13.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0736   14.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9282   13.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7827   14.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9282   12.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101   14.9001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5569   14.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7827   13.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6863    6.3786    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  6  0  0  0
 17 21  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
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
 25 30  1  0  0  0  0
  1 31  1  1  0  0  0
M  END
> <LM_ID>
LMST03020566

> <COMMON_NAME>
1alpha,25-dihydroxy-3-deoxy-19-nor-22-oxavitamin D3

> <SYSTEMATIC_NAME>
(7E)-(1S)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,25-diol

> <FORMULA>
C25H42O3

> <MASS>
390.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha,25-dihydroxy-3-deoxy-19-nor-22-oxacholecalciferol

> <INCHI_KEY>
RTFHONCBOHAFCK-UTLSPHFGSA-N

> <INCHI>
InChI=1S/C25H42O3/c1-18(28-16-15-24(2,3)27)22-12-13-23-20(8-6-14-25(22,23)4)11-10-19-7-5-9-21(26)17-19/h10-11,18,21-23,26-27H,5-9,12-17H2,1-4H3/b19-10-,20-11+/t18-,21-,22+,23-,25+/m0/s1

> <SMILES>
[C@@H]1(O)C/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])OCCC(O)(C)C)([H])[C@@]3(C)CCC\2)/CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547661

> <LIPIDBANK_ID>
VVD0667

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
9881643

$$$$