LMST03010048
  LIPID_MAPS_STRUCTURE_DATABASE

 34 36  0     0  0            999 V2000
    9.2732    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    6.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4880    7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    8.4219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805    9.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419    9.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   10.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2732    7.9067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3805   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2419   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1032   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1032   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   11.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259   12.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1032   13.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0285    8.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1032   10.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7199   13.4147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   13.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8258   14.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6872   13.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5485   14.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4097   13.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   14.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4097   12.9784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9646   14.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0040   14.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2710   13.4758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0457   15.3315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0512   15.3315    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  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
 10 19  2  0  0  0  0
  3 20  1  6  0  0  0
 14 21  1  6  0  0  0
 17 22  1  6  0  0  0
 17 23  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 27 29  1  0  0  0  0
 23 30  1  1  0  0  0
 23 31  1  6  0  0  0
 27 32  1  0  0  0  0
 26 33  1  1  0  0  0
 26 34  1  6  0  0  0
M  END
> <LM_ID>
LMST03010048

> <COMMON_NAME>
(24R)-24,25-dihydroxyvitamin D2

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-ergostatetraene-3,24,25-triol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(24R)-24,25-dihydroxyergocalciferol

> <INCHI_KEY>
BPEQZNMKGFTMQE-LXHCYJFYSA-N

> <INCHI>
InChI=1S/C28H44O3/c1-19-9-12-23(29)18-22(19)11-10-21-8-7-16-27(5)24(13-14-25(21)27)20(2)15-17-28(6,31)26(3,4)30/h10-11,15,17,20,23-25,29-31H,1,7-9,12-14,16,18H2,2-6H3/b17-15+,21-10+,22-11-/t20-,23+,24-,25+,27-,28-/m1/s1

> <SMILES>
C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])/C=C/[C@@](C)(O)C(O)(C)C)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547251

> <LIPIDBANK_ID>
VVD0395

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
-

$$$$