LMST01031305
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    8.3047    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3641    7.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3641    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3047    6.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865    6.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1274    6.7326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1274    7.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456    7.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1865    9.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1274    9.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0680    9.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0680    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9497    8.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9497    9.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0089    9.9918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0680   10.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456    8.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0089   10.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1242   11.0977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7616   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5142   10.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2669   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0192   10.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7721   11.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0192   10.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6182   10.3434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0089   11.7874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6911    6.3441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2652   11.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0680    7.5191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1808    7.3289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1864    5.1954    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  2  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
 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
  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
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
 14 32  1  6  0  0  0
  5 33  1  6     0  0
  9 33  1  6  0  0  0
  6 34  1  1     0  0
M  END
> <LM_ID>
LMST01031305

> <COMMON_NAME>
Anatoluin B

> <SYSTEMATIC_NAME>
5alpha,9alpha-epoxy-ergosta-7,22E-dien-3beta,6beta-diol

> <FORMULA>
C28H44O3

> <MASS>
428.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGSRWXXPRXGSLA-IUMXJWHTSA-N

> <INCHI>
InChI=1S/C28H44O3/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(23,31-28)14-13-25(21,22)5/h7-8,15,17-22,24,29-30H,9-14,16H2,1-6H3/b8-7+/t18-,19+,20-,21+,22-,24+,25+,26+,27+,28-/m0/s1

> <SMILES>
C1[C@]2(C)[C@]34O[C@]2([C@H](O)C=C3[C@]2([H])CC[C@@]([H])([C@@]2(C)CC4)[C@]([H])(C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116451

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
504458

> <CITATION>
36480815

$$$$