LMST01031213
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.2836    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    7.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453    6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2836    6.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2221    6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606    6.1735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991    6.7155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991    7.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2221    7.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1606    9.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0991    9.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0373    9.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0373    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9143    8.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9143    9.4244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9758    9.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0373   10.2644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9758   10.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0934   11.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7265   11.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4773   10.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2281   11.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9786   10.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7294   11.2665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9786   10.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5836   10.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9758   11.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6740    6.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2264   12.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1400    7.4294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0373    7.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1111    8.6874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9576    6.2199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1605    5.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2839    7.2572    0.0000 C   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 19  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  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
 19 20  1  6  0  0  0
 17 27  1  6  0  0  0
 19 28  1  1  0  0  0
  3 29  1  1  0  0  0
 23 30  1  6  0  0  0
  9 31  1  6  0  0  0
 14 32  1  6  0  0  0
  8 33  1  1     0  0
  7 34  1  6     0  0
 10  1  1  0  0  0  0
  6 35  1  1     0  0
 10 36  1  1     0  0
  5 36  1  1     0  0
M  END
> <LM_ID>
LMST01031213

> <COMMON_NAME>
Hatomasterol

> <SYSTEMATIC_NAME>
5beta,19-cycloergosta-22E-en-3beta,6beta,7alpha-triol

> <FORMULA>
C28H46O3

> <MASS>
430.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CREDXYMKNYHUGY-BELGCLGYSA-N

> <INCHI>
InChI=1S/C28H46O3/c1-16(2)17(3)6-7-18(4)20-8-9-21-23-22(11-12-26(20,21)5)27-13-10-19(29)14-28(27,15-27)25(31)24(23)30/h6-7,16-25,29-31H,8-15H2,1-5H3/b7-6+/t17-,18+,19-,20+,21-,22-,23-,24-,25+,26+,27-,28+/m0/s1

> <SMILES>
C1[C@@]23C[C@@]2([C@H](O)[C@@H](O)[C@@]2([H])[C@]4([H])CC[C@@]([H])([C@@]4(C)CC[C@@]23[H])[C@]([H])(C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11189628

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2627146

> <CITATION>
15610898

$$$$