LMST01031342
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    5.1564   -4.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111   -4.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111   -5.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1564   -6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018   -5.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018   -4.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8658   -4.4904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7205   -4.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7205   -5.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8658   -6.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8657   -3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7204   -3.0099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751   -3.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751   -4.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4298   -3.0098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845   -3.5033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2846   -4.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4298   -2.0229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2844   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1390   -2.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9937   -1.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8484   -2.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7031   -1.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8484   -3.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9937   -0.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5750   -1.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845   -2.5163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751   -5.4771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9111   -6.8576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8658   -7.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111   -3.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5751   -2.5164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4358   -6.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5749   -0.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7090   -2.0296    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  2  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  2  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  1  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
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  0     0  0
 21 25  2  0     0  0
 18 26  1  6     0  0
 15 27  1  6     0  0
 14 28  1  6     0  0
  3 29  1  6     0  0
 10 30  2  0     0  0
  2 31  1  1     0  0
 13 32  1  1     0  0
  5 33  2  0     0  0
 26 34  1  0     0  0
 26 35  2  0     0  0
  4 29  1  6     0  0
M  END
> <LM_ID>
LMST01031342

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4alpha,5alpha-epoxy-ergosta-1,7,24(28)-trien-3,6-dione-21-oic acid

> <FORMULA>
C28H36O5

> <MASS>
452.26

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGIZJQSFDGSGPY-GTGRXAKZSA-N

> <INCHI>
InChI=1S/C28H36O5/c1-15(2)16(3)6-7-17(25(31)32)19-8-9-20-18-14-23(30)28-24(33-28)22(29)11-13-27(28,5)21(18)10-12-26(19,20)4/h11,13-15,17,19-21,24H,3,6-10,12H2,1-2,4-5H3,(H,31,32)/t17-,19-,20+,21?,24-,26-,27-,28-/m1/s1

> <SMILES>
C1=CC(=O)[C@H]2O[C@@]32C(=O)C=C2[C@]4([H])CC[C@]([H])([C@H](C(=O)O)CCC(=C)C(C)C)[C@@]4(C)CCC2[C@@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 28:7;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171117815

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1974180

> <CITATION>
37676247

$$$$