LMST01031234
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    5.7470   -3.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138   -4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8138   -5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7470   -6.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6142   -6.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480   -5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480   -4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6142   -3.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -4.5179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6142   -2.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5480   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4812   -2.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3483   -3.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3483   -2.9011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4148   -2.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -3.7632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4148   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5369   -1.2645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1617   -1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6554   -1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4018   -1.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1488   -1.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4018   -2.3756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0195   -2.0131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4148   -0.5801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1459   -5.9812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807   -6.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6554   -0.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4572   -2.0400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6141   -7.1220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6142   -4.9819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4812   -3.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5657   -4.7000    0.0000 H   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
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  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
 13 16  1  0  0  0  0
 10 17  1  1  0  0  0
 18 19  1  6  0  0  0
 16 26  1  6  0  0  0
 18 27  1  1  0  0  0
  3 28  1  1  0  0  0
  5 29  1  6     0  0
 22 30  1  6     0  0
 13 31  1  1  0  0  0
  6 32  1  1     0  0
  9 33  1  6     0  0
  8 34  1  0  0  0  0
 34 14  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  6     0  0
M  END
> <LM_ID>
LMST01031234

> <COMMON_NAME>
9-hydroxycerevisterol

> <SYSTEMATIC_NAME>
Ergosta-7,22-diene-3beta,5alpha,6beta,9alpha-tetrol

> <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>
NYMHFYDQBMRBMB-IUMXJWHTSA-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/h7-8,15,17-22,24,29-32H,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@@]3(O)CC[C@]4([C@@]([H])(CC[C@]4([H])[C@]([H])(C)/C=C/[C@H](C)C(C)C)C3=C[C@@H](O)[C@@]2(O)C[C@@H](O)C1)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68694

> <ABBREVIATION>
ST 28:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
637203

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
79798

> <CITATION>
-

$$$$