LMST01031208
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    8.3586    8.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4354    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4354    7.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3586    6.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    7.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    6.4974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284    7.0305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    8.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    8.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    9.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284   10.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0514    9.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0514    8.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8981    8.6296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8981    9.6955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9747   10.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0514   10.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    8.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9747   11.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1065   11.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7133   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4519   11.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9291   11.0816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1284    9.0028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0514    7.8023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5727   10.5739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9747   11.9909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    7.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6257    6.5629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    5.9645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   11.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1906   12.5739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2050    5.5131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5939    7.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7813   11.5736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6473   11.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3585    5.4974    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  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 32  1  0  0  0  0
 32 24  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 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  1  1  0  0  0
 20 21  1  6  0  0  0
  8 25  1  1  0  0  0
 14 26  1  6  0  0  0
 17 27  1  6  0  0  0
 20 28  1  1  0  0  0
  9 29  1  6  0  0  0
  3 30  1  1  0  0  0
  5 31  1  6  0  0  0
 32 33  1  0  0  0  0
  6 34  1  6     0  0
 15 35  1  1     0  0
 24 36  1  0     0  0
 36 37  1  0     0  0
  4 38  1  0     0  0
M  END
> <LM_ID>
LMST01031208

> <COMMON_NAME>
Certonardosterol L

> <SYSTEMATIC_NAME>
26-nor-24-methyl-5alpha-cholest-22E-en-3beta,4,6alpha,15beta,26-pentol

> <FORMULA>
C27H46O5

> <MASS>
450.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AKZQHZDCJDFVJI-KUMFZVSSSA-N

> <INCHI>
InChI=1S/C27H46O5/c1-15(9-12-28)5-6-16(2)19-14-22(31)23-17-13-21(30)24-25(32)20(29)8-11-26(24,3)18(17)7-10-27(19,23)4/h5-6,15-25,28-32H,7-14H2,1-4H3/b6-5+/t15?,16-,17-,18+,19-,20+,21+,22-,23-,24+,25?,26-,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/C(C)CCO)C[C@@H](O)[C@@]4([H])[C@]3([H])C[C@H](O)[C@@]2([H])C(O)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44584584

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
60563

> <CITATION>
12662097

$$$$