LMST03010065
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.2666    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817    6.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817    7.4738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    7.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968    8.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119    9.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6968   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817    9.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9817    9.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972    8.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6825    9.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   10.2028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   11.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9123   11.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6274   11.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425   11.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0576   11.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7727   11.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    5.0017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119   10.7734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9123   10.6157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119    8.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0576   10.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4850   11.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4878   11.0285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7727    9.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425   12.2638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    6.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1972   11.8543    0.0000 H   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  1  0  0  0  0
  6  1  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 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  9  1  0  0  0  0
 10 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 11  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
  2 24  1  6  0  0  0
  4 25  1  1  0  0  0
 17 18  1  0  0  0  0
 11 26  1  1  0  0  0
 17 27  1  6  0  0  0
 10 28  1  6  0  0  0
 22 29  1  0  0  0  0
 18 30  1  6  0  0  0
 23 31  1  0  0  0  0
 29 32  1  0  0  0  0
 21 33  1  6  0  0  0
  5 34  2  0  0  0  0
 18 35  1  1  0  0  0
M  END
> <LM_ID>
LMST03010065

> <COMMON_NAME>
26,27-Dihomo-1alpha-hydroxyvitamin D2

> <SYSTEMATIC_NAME>
(5Z,7E,22E)-(1S,3R)-26,27-dihomo-9,10-seco-5,7,10(19),22-ergostatetraen-1,3-diol

> <FORMULA>
C30H48O2

> <MASS>
440.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D2 and derivatives [ST0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KWGCQDHYSNRQEA-IWJSHSMTSA-N

> <INCHI>
InChI=1S/C30H48O2/c1-7-23(8-2)20(3)11-12-21(4)27-15-16-28-24(10-9-17-30(27,28)6)13-14-25-18-26(31)19-29(32)22(25)5/h11-14,20-21,23,26-29,31-32H,5,7-10,15-19H2,1-4,6H3/b12-11+,24-13+,25-14-/t20-,21+,26+,27+,28-,29-,30+/m0/s1

> <SMILES>
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(CC)CC)CC[C@@]\23[H])/C(=C)[C@@H](O)C[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24779615

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$