LMST01031244
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.2043    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    7.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    6.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2043    6.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456    6.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872    6.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0289    6.6364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0289    7.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456    7.7237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0872    9.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0289    9.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9704    9.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9704    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8538    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8538    9.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9123    9.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9704   10.1972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1456    8.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9123   10.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0266   11.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6655   11.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4188   10.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1720   11.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9252   10.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6785   11.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9009    9.9846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5220   10.2503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9123   11.6954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5889    6.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1704   12.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0289    8.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0667    7.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9704    7.4237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0871    5.0938    0.0000 O   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  2  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 20  1  0  0  0  0
 20 22  1  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
 25 26  1  0  0  0  0
 25 27  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
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  2  0  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
  6 35  2  0     0  0
M  END
> <LM_ID>
LMST01031244

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta-hydroxyergosta-4,24(28)-diene-6-one

> <FORMULA>
C28H44O2

> <MASS>
412.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PGHGVYMWJFFGAE-ZCHWLGCVSA-N

> <INCHI>
InChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17,19-24,29H,3,7-14,16H2,1-2,4-6H3/t19-,20+,21+,22-,23+,24+,27-,28-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(=C)C(C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163156370

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
668401

> <CITATION>
28077809

$$$$