LMST01031346
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    9.4865    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4809    9.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6003    9.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    8.0387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3707    9.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671    8.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1283    8.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1318    9.0593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2530    9.5742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3707   10.0620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2422   10.5633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1182   11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2422   11.4564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9763   10.5613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8381   11.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6964   10.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5581   11.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3671    7.2513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6964    9.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    6.0190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4865    6.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8646    8.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9948    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9948    6.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8646    6.0287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7339    8.4027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9443    9.9733    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4670   11.0510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6092    7.2479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    6.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8416   12.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6088    5.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6  7  1  0  0  0  0
  5 10  1  1  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  1  0  0  0
 12 14  2  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
  6 18  1  6  0  0  0
 16 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  2  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 21  2  0  0  0  0
 20 28  1  1  0  0  0
  9 29  1  6  0  0  0
 11 30  1  6  0  0  0
  4 31  1  6  0  0  0
 26 32  2  0     0  0
 15 33  1  6     0  0
 22 34  2  0     0  0
M  END
> <LM_ID>
LMST01031346

> <COMMON_NAME>
Ganodesterone

> <SYSTEMATIC_NAME>
Ergosta-4,7,22-triene-3,6-dione

> <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>
RMKUNHROPPZENV-IXWATKSXSA-N

> <INCHI>
InChI=1S/C28H40O2/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/h7-8,15-19,22-24H,9-14H2,1-6H3/b8-7+/t18-,19+,22+,23-,24-,27+,28+/m0/s1

> <SMILES>
C12=CC(=O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])/C=C/[C@H](C)C(C)C)CC[C@@]21[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
68082

> <ABBREVIATION>
ST 28:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11177299

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5315

> <CITATION>
-

$$$$