LMST01031335
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
   10.8783    8.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0218    9.1317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8616    7.7097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1735    8.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0135   10.1255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0299    7.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8742   10.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1735    7.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3252    9.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1651    9.6306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3252    7.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4895    8.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4895    7.6557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6247    7.1651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0390    8.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6949    8.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2755    9.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7664   10.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7664   11.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7621    9.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7621    8.1580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5465   11.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7015   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4025   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2529   11.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7015   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511   11.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5520   11.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9537   11.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1032   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1032   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0604    6.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    6.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2529   12.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  6  0  0  0
  3  6  1  0  0  0  0
 18  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 23 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 16  1  0  0  0  0
 23 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  1  0  0  0
 20 21  1  6  0  0  0
 23 22  1  6  0  0  0
 23 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  6  0  0  0
 31 29  1  0  0  0  0
 31 30  1  0  0  0  0
  6 32  2  0     0  0
  8 33  1  6     0  0
 25 34  1  6     0  0
 33 15  1  0     0  0
M  END
> <LM_ID>
LMST01031335

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha,9alpha-epidioxy-3beta-hydroxy-ergosta-7-en-6-one

> <FORMULA>
C28H44O4

> <MASS>
444.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6-Oxo-5,9-epidioxy-5alpha-ergosta-7-en-3beta-ol

> <INCHI_KEY>
FZOPHVRKJMCTDV-ZFZPKPCHSA-N

> <INCHI>
InChI=1S/C28H44O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28-16-20(29)11-12-26(28,6)27(23,31-32-28)14-13-25(21,22)5/h15,17-22,29H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1

> <SMILES>
C12=CC(=O)[C@]34OO[C@@]1(CC[C@@]1(C)[C@@]2([H])CC[C@@]1([C@H](C)CC[C@H](C)C(C)C)[H])[C@@]3(C)CC[C@H](O)C4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10646967

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
39966

> <CITATION>
-

$$$$