LMST03020589
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   11.8763    6.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930    6.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1100    6.5705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1100    7.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930    8.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930    9.1639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8453    9.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8453   10.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930   11.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8763    7.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9930   12.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8453   12.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6973   12.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6973   11.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4018   11.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4018   12.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496   12.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6973   10.3846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2970   13.0395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5496   13.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4018   14.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7284    8.0821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2579    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7282    6.0785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6973   13.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6976   14.0840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8453   13.5918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9932   13.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1410   13.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1410   14.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2889   15.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368   14.5757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368   13.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2889   13.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   13.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   13.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5847   12.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   12.6079    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
 14 18  1  6  0  0  0
 17 19  1  6  0  0  0
 17 20  1  0  0  0  0
 21 20  1  0  0  0  0
 10 22  2  0  0  0  0
  3 23  1  6  0  0  0
  1 24  1  1  0  0  0
 13 25  1  1  0  0  0
 20 26  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
M  END
> <LM_ID>
LMST03020589

> <COMMON_NAME>
1alpha-hydroxy-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol

> <FORMULA>
C32H46O4

> <MASS>
494.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
1alpha-hydroxy-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23,24,25,26,27-pentanorcholecalciferol

> <INCHI_KEY>
DCJPEAWYVMNRFH-MQWPUCTCSA-N

> <INCHI>
InChI=1S/C32H46O4/c1-21(2)28-13-14-29-24(11-12-25-17-27(33)18-30(34)22(25)3)9-7-15-32(28,29)20-36-19-23-8-6-10-26(16-23)31(4,5)35/h6,8,10-12,16,21,27-30,33-35H,3,7,9,13-15,17-20H2,1-2,4-5H3/b24-11+,25-12-/t27-,28-,29+,30+,32+/m1/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@](C(C)C)([H])[C@@]3(COCC3C=C(C(O)(C)C)C=CC=3)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547684

> <LIPIDBANK_ID>
VVD0691

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$