LMST01031336
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  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
   12.6948    8.8446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2754    9.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7663   10.1339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7663   11.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7620    9.1399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7620    8.1580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5464   11.0637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4024   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2528   11.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7014   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8510   11.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5519   11.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9536   11.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1031   10.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1031   11.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1990    6.6390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2528   12.9261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7362    7.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
 17  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
 22 17  1  0  0  0  0
 17 19  1  0  0  0  0
 19 15  1  0  0  0  0
 22 16  1  0  0  0  0
 15 16  1  0  0  0  0
 17 18  1  1  0  0  0
 19 20  1  6  0  0  0
 22 21  1  6  0  0  0
 22 25  1  0  0  0  0
 25 27  1  0  0  0  0
 27 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  1  6  0  0  0
 30 28  1  0  0  0  0
 30 29  1  0  0  0  0
  8 31  1  6     0  0
 24 32  1  6     0  0
  6 31  1  6     0  0
  3 33  1  1     0  0
M  END
> <LM_ID>
LMST01031336

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5alpha,6alpha-epoxy-ergosta-8,22-diene-3beta,7beta,14-triol

> <FORMULA>
C28H44O4

> <MASS>
444.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PEFVSALFOVYKAA-HXPFJBHASA-N

> <INCHI>
InChI=1S/C28H44O4/c1-16(2)17(3)7-8-18(4)20-11-14-27(31)22-21(10-13-25(20,27)5)26(6)12-9-19(29)15-28(26)24(32-28)23(22)30/h7-8,16-20,23-24,29-31H,9-15H2,1-6H3/b8-7+/t17-,18+,19-,20+,23+,24-,25+,26+,27+,28-/m0/s1

> <SMILES>
C12[C@@H](O)[C@@H]3O[C@]43C[C@@H](O)CC[C@]4(C)C=1CC[C@@]1(C)[C@@]2(O)CC[C@@]1([C@H](C)/C=C/[C@H](C)C(C)C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10599434

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5353

> <CITATION>
-

$$$$