LMST01010407
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.0216    8.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290    8.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1290    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8068    6.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    8.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8068    9.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992   10.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5720    8.4258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1779    9.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8068    8.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    8.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    8.7443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    9.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3572   11.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4646   11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1425   11.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5720   11.1241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2497   11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5720   10.0934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4646   10.6088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0216    6.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    7.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    6.5469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3413    6.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5229    6.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9142    9.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6795   11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5919   10.8056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0351   11.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1425   10.0934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2533    6.6927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310   10.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 14  1  0     0  0
 14 20  1  0     0  0
 14  8  1  0     0  0
 13 12  1  0     0  0
 13  9  1  0     0  0
 11  7  1  0     0  0
 11  6  1  0     0  0
 12 11  2  0     0  0
 12  5  1  0     0  0
  6 23  1  0     0  0
  6  1  1  0     0  0
 10 20  1  0     0  0
  7  8  1  0     0  0
 10  9  1  0     0  0
  4  5  1  0     0  0
 23 22  1  0     0  0
 23  4  1  0     0  0
  2  1  1  0     0  0
  3 22  1  0     0  0
  3  2  1  0     0  0
 15 16  1  0     0  0
 15 19  2  0     0  0
 16 18  1  0     0  0
 18 20  1  0     0  0
 17 19  1  0     0  0
 20 21  1  6     0  0
 23 24  1  6     0  0
  6 27  1  1     0  0
 14 30  1  1     0  0
 18 29  1  6     0  0
 17 32  2  0     0  0
 31 17  1  0     0  0
 22 26  1  0     0  0
 22 25  1  0     0  0
 13 28  1  6     0  0
  3 33  2  0     0  0
  7 34  2  0     0  0
M  END
> <LM_ID>
LMST01010407

> <COMMON_NAME>
Ganodecalone B

> <SYSTEMATIC_NAME>
27-nor-lanosta-8,23E-dien-3,11,25-trione

> <FORMULA>
C29H42O3

> <MASS>
438.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SGBNYANGOPKPRX-QCVMKDKESA-N

> <INCHI>
InChI=1S/C29H42O3/c1-18(9-8-10-19(2)30)20-13-16-28(6)21-11-12-23-26(3,4)24(32)14-15-27(23,5)25(21)22(31)17-29(20,28)7/h8,10,18,20,23H,9,11-17H2,1-7H3/b10-8+/t18-,20-,23+,27+,28+,29-/m1/s1

> <SMILES>
C1CC(=O)C(C)(C)[C@]2([H])CCC3=C([C@]21C)C(=O)C[C@]1(C)[C@@]([H])([C@H](C)C/C=C/C(C)=O)CC[C@]13C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
139590875

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2026244

> <CITATION>
28800421

$$$$