LMST03020377
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0  0  0  0  0  0  0  0999 V2000
    7.7237    5.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2603    5.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2603    6.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    6.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    7.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    8.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981    9.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920    9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7237    6.5148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9920   10.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6981   10.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   10.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162    9.4493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162   10.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1102   10.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041   10.8964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    8.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7293   11.0298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1102   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8161   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5222   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2282   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342   11.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402   11.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9342   10.6722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1102   12.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3227   11.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4296    6.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4297    5.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2860   10.6721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5801   10.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6402   11.0798    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
  3 30  1  6  0  0  0
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 11 33  1  6  0  0  0
 33 34  1  0  0  0  0
 25 35  1  0  0  0  0
M  END
> <LM_ID>
LMST03020377

> <COMMON_NAME>
1alpha,25-dihydroxy-11alpha-methoxyvitamin D3 / 1alpha,25-dihydroxy-11alpha-methoxycholecalciferol

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,11S)-11-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VCPAUMJVWKQSBU-IQZWSEMJSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-18(8-7-13-27(3,4)31)24-11-12-25-21(15-23(32-6)17-28(24,25)5)10-9-20-14-22(29)16-26(30)19(20)2/h9-10,18,22-26,29-31H,2,7-8,11-17H2,1,3-6H3/b20-9-,21-10+/t18-,22-,23+,24-,25+,26+,28-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178551

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547489

> <LIPIDBANK_ID>
VVD0461

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$