LMST01031155
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    8.4400    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840    7.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4840    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400    6.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524    6.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086    6.8422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086    7.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962    7.9462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086   10.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1769    8.4983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1769    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2208   10.1545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645   10.4581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3962    8.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2208   11.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3217   11.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9857   11.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7506   11.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5156   11.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   11.0376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0452   11.4792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2801   10.2920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8400   10.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2208   11.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8000    6.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5138   12.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3313    7.5697    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2645    7.6416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3523    5.2801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9056    7.3220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 20  1  0     0  0
 20 22  1  0     0  0
 22 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
  1 10  1  0     0  0
  5 10  1  0     0  0
  9 10  1  0     0  0
  8 14  1  0     0  0
 13 17  1  0     0  0
 13 18  1  1     0  0
 10 19  1  1     0  0
 20 21  1  6     0  0
 17 28  1  6     0  0
 20 29  1  1     0  0
  3 30  2  0     0  0
 24 31  1  6     0  0
  9 32  1  6     0  0
 14 33  1  6     0  0
  6 34  2  0     0  0
  7 35  1  1     0  0
  8 35  1  1     0  0
M  END
> <LM_ID>
LMST01031155

> <COMMON_NAME>
Talarosterone

> <SYSTEMATIC_NAME>
Ergosta-7beta,8beta-epoxy-4,22E-dien-3,6-dione

> <FORMULA>
C28H40O3

> <MASS>
424.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7beta,8beta-epoxy-(22E,24R)-24-methylcholesta-4,22-diene-3,6-dione; 7beta,8beta-Epoxy-ergosta-4,22E-diene-3,6-dione

> <INCHI_KEY>
APUOKZOJSMYJCH-RKVYFYKZSA-N

> <INCHI>
InChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)20-9-10-22-26(20,5)14-12-23-27(6)13-11-19(29)15-21(27)24(30)25-28(22,23)31-25/h7-8,15-18,20,22-23,25H,9-14H2,1-6H3/b8-7+/t17-,18+,20+,22+,23+,25-,26+,27-,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4([H])[C@]43O[C@H]4C(=O)C2=CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139590474

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28564

> <CITATION>
28509846

$$$$