LMST01031026
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0  0  0  0  0  0  0  0999 V2000
    8.4845    8.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5511    7.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5511    6.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    6.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3510    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    6.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    7.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3510    8.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    7.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3510    9.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2843    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173    9.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173    8.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0838    8.2159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0838    9.2934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1506    9.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173   10.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4179    8.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1506   10.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2730   10.9295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8971   11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6436   10.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3902   11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1367   10.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8837   11.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1367    9.9665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2173    7.3798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7549   10.1813    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1506   11.6135    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3902   11.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1269    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
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 17 16  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 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 10  1  1  0  0  0  0
 10  5  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  0  0  0  0
 14 28  1  6  0  0  0
 17 29  1  6  0  0  0
 20 30  1  1  0  0  0
 24 31  1  6  0  0  0
  3 32  1  1  0  0  0
M  END
> <LM_ID>
LMST01031026

> <COMMON_NAME>
Lichesterol

> <SYSTEMATIC_NAME>
ergosta-5,8,22E-trien-3beta-ol

> <FORMULA>
C28H44O

> <MASS>
396.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
ergosta-5,8(9),22E-trien-3beta-ol

> <INCHI_KEY>
VILFZDAFELACSG-CMNOFMQQSA-N

> <INCHI>
InChI=1S/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22,24-25,29H,10-17H2,1-6H3/b8-7+/t19-,20+,22-,24+,25-,27-,28+/m0/s1

> <SMILES>
C1[C@]2(C)C3CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])C=3CC=C2C[C@@H](O)C1

> <KEGG_ID>
C08823

> <HMDB_ID>
-

> <CHEBI_ID>
6453

> <ABBREVIATION>
ST 28:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281329

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1204; 107463

> <CITATION>
12879746

$$$$