LMST01031331
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   11.0827    8.8076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2101    9.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0657    7.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3459    8.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2016   10.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2184    7.3039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0785   10.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3459    7.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4817    9.2905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374    9.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4817    7.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303    8.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6303    7.7996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7492    7.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2276    8.4468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9335    9.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5249    9.8177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9876   10.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9876   11.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    9.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9832    8.3113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8011   11.2716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9402   10.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6731   11.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5395   12.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9402   11.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0738   12.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8066   12.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2723   12.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4058   10.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4058   11.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2495    6.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3719    6.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5395   13.1691    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
M  END
> <LM_ID>
LMST01031331

> <COMMON_NAME>


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

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WNCDXWLLIJDSNA-ZFZPKPCHSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3/t18-,19+,20-,21+,22-,25+,26+,27+,28-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10813289

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5353

> <CITATION>
-

$$$$