LMST01031263
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.1161    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1846    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1846    6.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    6.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0475    6.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    6.0271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    6.5651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0475    7.6410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9105    9.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7052    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7052    9.2542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7737    9.7918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419   10.0877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0475    8.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7737   10.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181    6.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8859    8.3819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9588    7.4923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8419    7.5422    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2626   10.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6361   11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864   11.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4985   10.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3610   11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2234   10.6525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0858   11.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2234    9.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1162    9.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3610   12.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1131    9.7543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9791    5.0271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0564    5.6900    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
  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
  3 21  1  1  0  0  0
  8 22  1  1  0  0  0
  9 23  1  6  0  0  0
 14 24  1  6  0  0  0
 17 25  1  6     0  0
 20 26  1  0     0  0
 20 27  1  6     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 30 32  1  0     0  0
  1 33  2  0     0  0
 29 34  1  6     0  0
 11 35  1  6     0  0
 26 28  1  0     0  0
  6 36  1  1     0  0
  5 37  1  6     0  0
M  END
> <LM_ID>
LMST01031263

> <COMMON_NAME>
Sinubrassione

> <SYSTEMATIC_NAME>
3beta,5alpha,6beta,11alpha-tetrahydroxyergost-1-one

> <FORMULA>
C28H48O5

> <MASS>
464.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OXDYHFKBTRRMEG-MKAFRXINSA-N

> <INCHI>
InChI=1S/C28H48O5/c1-15(2)16(3)7-8-17(4)20-9-10-21-19-12-24(32)28(33)13-18(29)11-23(31)27(28,6)25(19)22(30)14-26(20,21)5/h15-22,24-25,29-30,32-33H,7-14H2,1-6H3/t16-,17+,18-,19-,20+,21-,22+,24+,25+,26+,27+,28-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:1;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163112091

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668394

> <CITATION>
35031429

$$$$