LMST01031327
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    6.5053   -5.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7245   -5.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7245   -6.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5053   -7.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863   -6.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0673   -7.1034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484   -6.6524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484   -5.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0673   -5.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863   -5.7507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0673   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484   -3.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1913   -5.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1913   -4.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4103   -3.9469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -3.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2863   -5.1192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4103   -3.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6760   -3.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0351   -2.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6600   -3.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2848   -2.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9093   -3.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9162   -3.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4103   -2.4563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9408   -7.1249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2834   -2.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0503   -6.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6292   -5.9995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0673   -8.1034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9092   -4.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7754   -2.7256    0.0000 C   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
 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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 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
  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 26  1  6  0  0  0
 20 27  1  1  0  0  0
  3 28  2  0  0  0  0
 24 29  1  6  0  0  0
  9 30  1  6  0  0  0
 14 31  1  6  0  0  0
  6 32  2  0     0  0
 25 33  1  0     0  0
 25 34  1  0     0  0
M  END
> <LM_ID>
LMST01031327

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
14alpha-Hydroxyergosta-7,2E2-diene-3,6-dione

> <FORMULA>
C28H42O3

> <MASS>
426.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YVONXZZGYWHPNV-CYHKETEUSA-N

> <INCHI>
InChI=1S/C28H42O3/c1-17(2)18(3)7-8-19(4)21-11-14-28(31)23-16-25(30)24-15-20(29)9-12-26(24,5)22(23)10-13-27(21,28)6/h7-8,16-19,21-22,24,31H,9-15H2,1-6H3/b8-7+/t18-,19+,21+,22-,24?,26+,27+,28+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](C)C(C)C)CC[C@@]4(O)C3=CC(=O)C2CC(=O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101103129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2696576

> <CITATION>
22999074

$$$$