LMST03020115
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    9.2244    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4734    6.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4734    7.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489    9.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1938    9.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1938   10.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489   11.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2244    7.8771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3489   12.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1938   12.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0385   12.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0385   11.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7284   11.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7284   12.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8836   12.8517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0385   13.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9654    8.3048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0385   10.6476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6244   13.2796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8836   13.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7283   14.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8836   14.8027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9413   14.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5731   13.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4180   14.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2627   13.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1075   14.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2627   12.8518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1075   13.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5731   12.8517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1075   12.3640    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
 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
 23 25  1  1  0  0  0
 23 26  1  6  0  0  0
 27 24  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  6  0  0  0
 29 31  1  0  0  0  0
 29 32  1  1  0  0  0
 27 33  1  6  0  0  0
 33 31  1  0  0  0  0
 31 34  2  0  0  0  0
M  END
> <LM_ID>
LMST03020115

> <COMMON_NAME>
(23R,25R)-25-hydroxyvitamin D3 26,23-lactone

> <SYSTEMATIC_NAME>
(5Z,7E)-(3S,23R,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone

> <FORMULA>
C27H40O4

> <MASS>
428.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(23R,25R)-25-hydroxycholecalciferol 26,23-lactone

> <INCHI_KEY>
IJNDMZIDDKVXHR-VZSDRMMUSA-N

> <INCHI>
InChI=1S/C27H40O4/c1-17-7-10-21(28)15-20(17)9-8-19-6-5-13-26(3)23(11-12-24(19)26)18(2)14-22-16-27(4,30)25(29)31-22/h8-9,18,21-24,28,30H,1,5-7,10-16H2,2-4H3/b19-8+,20-9-/t18-,21+,22-,23-,24+,26-,27-/m1/s1

> <SMILES>
C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])C[C@H]4OC(=O)[C@@](O)(C)C4)([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>
9547361

> <LIPIDBANK_ID>
VVD0130

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$