LMST01031195
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    8.7998    4.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683    4.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683    3.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7998    2.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9314    3.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9314    4.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5367    4.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4052    4.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4052    3.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5367    2.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5367    5.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4051    6.3180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2736    5.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2736    4.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1421    6.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0108    5.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0109    4.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1421    7.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0107    7.8223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2735    7.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8790    7.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7475    7.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6161    7.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7475    8.8253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6161    6.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4845    7.8225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0629    2.8079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683    5.3149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2736    6.8193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8086    6.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1421    8.0479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5496    4.0652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7128    4.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6683    2.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    2.8094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  2  0     0  0
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  6     0  0
 19 21  2  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 23 26  1  0     0  0
  5 27  1  1     0  0
  2 28  1  1     0  0
 13 29  1  1     0  0
 15 30  1  6     0  0
 18 31  1  1     0  0
  7 32  1  6     0  0
 17 33  2  0     0  0
  3 34  1  1     0  0
 10 34  1  1     0  0
  9 35  1  6     0  0
M  END
> <LM_ID>
LMST01031195

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
(22E,24R)-ergosta-5beta,6beta-epoxy-3beta,7alpha,9alpha-trihydroxy-8(14),22-dien-15-one

> <FORMULA>
C28H42O4

> <MASS>
442.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OPDHOWKNJJDTHH-CMZUEXGSSA-N

> <INCHI>
InChI=1S/C28H42O4/c1-15(2)16(3)7-8-17(4)20-13-21(30)23-22-19(10-11-26(20,23)5)27(6)12-9-18(29)14-28(27)25(32-28)24(22)31/h7-8,15-20,24-25,29,31H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,19-,20+,24-,25+,26+,27+,28+/m0/s1

> <SMILES>
C1C[C@H](O)C[C@@]23O[C@@H]2[C@@H](O)C2=C4C(=O)C[C@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)[C@@]4(C)CC[C@]2([H])[C@@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:4;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
129713749

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
28564

> <CITATION>
34087503

$$$$