LMST01031204
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.3619    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4383    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3619    6.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    6.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    8.0997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328   10.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9035    8.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9035    9.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9798   10.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561   10.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    8.8464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9798   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1112   11.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7187   11.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4576   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9353   11.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1328    9.0063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561    7.8054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5780   10.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9798   11.9956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    7.8230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6283    6.5655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2856    5.9668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1965   11.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1965   12.5788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2090    5.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5996    7.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7879   11.5781    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
M  END
> <LM_ID>
LMST01031204

> <COMMON_NAME>
Certonardosterol H

> <SYSTEMATIC_NAME>
26,27-dinor-24-methyl-5alpha-cholest-22E-en-3beta,6alpha,15beta,25-tetrol

> <FORMULA>
C26H44O4

> <MASS>
420.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OJUYKMCASYNMLF-ODJGDKCGSA-N

> <INCHI>
InChI=1S/C26H44O4/c1-15(14-27)5-6-16(2)20-13-23(30)24-18-12-22(29)21-11-17(28)7-9-25(21,3)19(18)8-10-26(20,24)4/h5-6,15-24,27-30H,7-14H2,1-4H3/b6-5+/t15?,16-,17+,18-,19+,20-,21-,22+,23-,24-,25-,26-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 26:1;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21629551

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
60563

> <CITATION>
12662097

$$$$