LMST01031366
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    4.6952   -6.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5603   -7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5603   -8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6952   -8.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -7.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -6.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2905   -7.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2905   -8.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -8.5911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4253   -5.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2904   -5.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -5.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -6.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0207   -5.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8860   -5.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8861   -6.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5603   -6.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1556   -4.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0207   -4.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8859   -3.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1555   -3.5961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7509   -4.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6162   -3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814   -4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3466   -3.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4814   -5.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3466   -4.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6162   -2.5970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4254   -7.2674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9650   -8.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5362   -4.7362    0.0000 H   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  2  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  2  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
  2 18  1  1     0  0
 13 19  1  1     0  0
 15 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  6     0  0
 21 23  2  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  0     0  0
 25 28  1  0     0  0
 24 29  1  6     0  0
  7 30  1  6     0  0
  5 31  2  0     0  0
 15 32  1  6     0  0
M  END
> <LM_ID>
LMST01031366

> <COMMON_NAME>
25-hydroxyergone

> <SYSTEMATIC_NAME>
25-hydroxyergosta-4,6,8(14),22-tetraen-3-one

> <FORMULA>
C28H40O2

> <MASS>
408.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UDQKCPDBYOLCPB-MSAMIHCOSA-N

> <INCHI>
InChI=1S/C28H40O2/c1-18(7-8-19(2)26(3,4)30)23-11-12-24-22-10-9-20-17-21(29)13-15-27(20,5)25(22)14-16-28(23,24)6/h7-10,17-19,23,25,30H,11-16H2,1-6H3/b8-7+/t18-,19+,23-,25+,27+,28-/m1/s1

> <SMILES>
C1CC(=O)C=C2C=CC3=C4CC[C@]([H])([C@H](C)/C=C/[C@H](C)C(O)(C)C)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33178

> <CITATION>
38856635

$$$$