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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 20:49:10 UTC

Update Date

2022-03-07 02:54:38 UTC

HMDB ID

HMDB0035797

Secondary Accession Numbers

HMDB35797

Metabolite Identification

Common Name

Ganoderenic acid E

Description

Ganoderenic acid E, also known as ganoderenate e, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ganoderenic acid E is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 05061308432D          

 38 41  0  0  0  0            999 V2000
   -1.6810    2.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719    5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    4.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    5.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    6.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    4.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230   -0.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1265    6.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
 14 10  2  0  0  0  0
 15  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 28  9  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30  7  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  2  0  0  0  0
 32 18  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 24  2  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END

HMDB0035797
     RDKit          3D
Ganoderenic acid E
 78 81  0  0  0  0  0  0  0  0999 V2000
    4.2514   -1.8683   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451   -0.9463   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4633    0.2910   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    0.9431   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    2.2030    0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    0.4395   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    1.5619   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    1.0278   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    1.9085    1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    1.3209    2.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9370    2.9072    1.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -1.5421   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -1.9803   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267   -1.7852   -1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597   -1.6666   -2.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639   -1.7768   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -3.1522    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -1.2654    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -0.0649    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    0.4450    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    1.4804    2.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -0.4810    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -0.0685    2.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -0.7577    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    0.4321   -0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    0.8232    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044    2.1342   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.1002    1.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0992    1.4742    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6047    1.8219    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206    2.8404    0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3483    0.9072   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4481    1.6706   -1.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5265   -0.0686   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0311    0.1994   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678   -1.2350   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -2.0621   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.9950    0.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -2.8901   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992   -1.5745   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726   -2.1123    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.9023    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1802    0.2150   -1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242   -0.4227    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739    2.4450   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -0.0706   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2566    1.3801    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7883    1.2991   -1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473    3.8419    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -2.4330    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.9850   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -1.2910   -2.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484   -3.2435    1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -3.7270    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154   -3.7374   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -1.4038    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325    0.1896    3.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    1.3854   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    0.4553   -1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    0.3260   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    2.8589   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    2.5474    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.8802   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.2950    2.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    2.0093    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6655    0.5632    2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3052    2.2743    2.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3073    2.3628   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5401    2.2047   -2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7216    0.8891   -2.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4367    0.6016   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6199   -0.6673    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5700   -0.6255   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5479    0.2122   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -1.2373    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9506   -1.6560   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248   -2.6525   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531   -2.6249    1.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
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 30 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 24 12  1  0
 35 26  1  0
 24 16  1  0
 37 18  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 17 53  1  0
 17 54  1  0
 17 55  1  0
 22 56  1  0
 23 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 27 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 29 67  1  0
 33 68  1  0
 33 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END


  Mrv0541 05061308432D          

 38 41  0  0  0  0            999 V2000
   -1.6810    2.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0719    5.4465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119   -0.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    0.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    2.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    0.5269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    2.1537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528    3.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7483    4.9080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    0.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    2.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    5.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0592    4.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574    2.0770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8399    0.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278    1.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0962    0.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8111    2.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    2.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9438    6.3235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4672    2.1038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7475    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8764    4.0310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.2240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.2325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230   -0.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429    3.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7187    3.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501    6.9749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1265    6.4364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 14  1  1  0  0  0  0
 14 10  2  0  0  0  0
 15  2  1  0  0  0  0
 15 11  1  0  0  0  0
 16 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 13  1  0  0  0  0
 19 13  1  0  0  0  0
 20  8  1  0  0  0  0
 21 12  1  0  0  0  0
 22 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 15  1  0  0  0  0
 27  3  1  0  0  0  0
 27  4  1  0  0  0  0
 27 19  1  0  0  0  0
 27 20  1  0  0  0  0
 28  5  1  0  0  0  0
 28  9  1  0  0  0  0
 28 19  1  0  0  0  0
 28 23  1  0  0  0  0
 29  6  1  0  0  0  0
 29 17  1  0  0  0  0
 29 25  1  0  0  0  0
 30  7  1  0  0  0  0
 30 21  1  0  0  0  0
 30 22  1  0  0  0  0
 30 29  1  0  0  0  0
 31 16  2  0  0  0  0
 32 18  1  0  0  0  0
 33 20  2  0  0  0  0
 34 21  2  0  0  0  0
 35 24  2  0  0  0  0
 36 25  1  0  0  0  0
 37 26  2  0  0  0  0
 38 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035797

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+

> <INCHI_KEY>
UFIFFDILGAASQL-GXDHUFHOSA-N

> <FORMULA>
C30H40O8

> <MOLECULAR_WEIGHT>
528.6338

> <EXACT_MASS>
528.272318256

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
56.70474076792201

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid

> <ALOGPS_LOGP>
2.99

> <JCHEM_LOGP>
3.1059168143333347

> <ALOGPS_LOGS>
-4.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.884492479375059

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.127034944013494

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0126842790035706

> <JCHEM_POLAR_SURFACE_AREA>
146.04

> <JCHEM_REFRACTIVITY>
140.2719

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.07e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0035797
     RDKit          3D
Ganoderenic acid E
 78 81  0  0  0  0  0  0  0  0999 V2000
    4.2514   -1.8683   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451   -0.9463   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4633    0.2910   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    0.9431   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    2.2030    0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    0.4395   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    1.5619   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    1.0278   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    1.9085    1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    1.3209    2.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9370    2.9072    1.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -1.5421   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -1.9803   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267   -1.7852   -1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597   -1.6666   -2.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639   -1.7768   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -3.1522    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -1.2654    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -0.0649    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    0.4450    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    1.4804    2.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -0.4810    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -0.0685    2.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -0.7577    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    0.4321   -0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    0.8232    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044    2.1342   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.1002    1.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0992    1.4742    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6047    1.8219    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206    2.8404    0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3483    0.9072   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4481    1.6706   -1.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5265   -0.0686   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0311    0.1994   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678   -1.2350   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -2.0621   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.9950    0.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -2.8901   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992   -1.5745   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726   -2.1123    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.9023    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1802    0.2150   -1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242   -0.4227    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739    2.4450   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -0.0706   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2566    1.3801    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7883    1.2991   -1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473    3.8419    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -2.4330    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.9850   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -1.2910   -2.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484   -3.2435    1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -3.7270    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154   -3.7374   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -1.4038    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325    0.1896    3.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    1.3854   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    0.4553   -1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    0.3260   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    2.8589   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    2.5474    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.8802   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.2950    2.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    2.0093    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6655    0.5632    2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3052    2.2743    2.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3073    2.3628   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5401    2.2047   -2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7216    0.8891   -2.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4367    0.6016   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6199   -0.6673    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5700   -0.6255   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5479    0.2122   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -1.2373    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9506   -1.6560   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248   -2.6525   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531   -2.6249    1.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 24 12  1  0
 35 26  1  0
 24 16  1  0
 37 18  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 17 53  1  0
 17 54  1  0
 17 55  1  0
 22 56  1  0
 23 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 27 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 29 67  1  0
 33 68  1  0
 33 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -3.138   4.882   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.868  10.167   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.929  -0.051   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.791   0.621   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.897   4.562   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.200   5.313   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.764   0.984   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.929   4.020   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.413   4.291   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.032   6.519   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.397   9.162   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.095   2.398   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.950   0.488   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.612   5.093   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.342  10.377   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.977   7.735   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.667   3.877   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.434   0.759   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.943   1.665   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       8.452   2.572   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.180   1.533   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.911   2.208   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       3.904   3.385   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.381   4.833   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.865   5.104   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.762  11.804   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       7.459   1.394   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.420   3.114   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.872   3.927   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.395   2.479   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -3.503   7.525   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.442  -0.418   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       9.968   2.301   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.230  -0.006   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       4.373   6.011   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.342   6.553   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      -2.707  13.020   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      -0.236  12.015   0.000  0.00  0.00           O+0
CONECT    1   14                                                            
CONECT    2   15                                                            
CONECT    3   27                                                            
CONECT    4   27                                                            
CONECT    5   28                                                            
CONECT    6   29                                                            
CONECT    7   30                                                            
CONECT    8    9   20                                                       
CONECT    9    8   28                                                       
CONECT   10   14   16                                                       
CONECT   11   15   16                                                       
CONECT   12   17   21                                                       
CONECT   13   18   19                                                       
CONECT   14    1   10   17                                                  
CONECT   15    2   11   26                                                  
CONECT   16   10   11   31                                                  
CONECT   17   12   14   29                                                  
CONECT   18   13   22   32                                                  
CONECT   19   13   27   28                                                  
CONECT   20    8   27   33                                                  
CONECT   21   12   30   34                                                  
CONECT   22   18   23   30                                                  
CONECT   23   22   24   28                                                  
CONECT   24   23   25   35                                                  
CONECT   25   24   29   36                                                  
CONECT   26   15   37   38                                                  
CONECT   27    3    4   19   20                                             
CONECT   28    5    9   19   23                                             
CONECT   29    6   17   25   30                                             
CONECT   30    7   21   22   29                                             
CONECT   31   16                                                            
CONECT   32   18                                                            
CONECT   33   20                                                            
CONECT   34   21                                                            
CONECT   35   24                                                            
CONECT   36   25                                                            
CONECT   37   26                                                            
CONECT   38   26                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0035797
HETATM    1  C1  UNL     1       4.251  -1.868  -0.690  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.145  -0.946  -0.304  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.463   0.291  -0.046  1.00  0.00           C  
HETATM    4  C4  UNL     1       4.731   0.943  -0.069  1.00  0.00           C  
HETATM    5  O1  UNL     1       4.680   2.203   0.262  1.00  0.00           O  
HETATM    6  C5  UNL     1       6.063   0.440  -0.398  1.00  0.00           C  
HETATM    7  C6  UNL     1       7.110   1.562  -0.150  1.00  0.00           C  
HETATM    8  C7  UNL     1       8.492   1.028  -0.501  1.00  0.00           C  
HETATM    9  C8  UNL     1       7.100   1.908   1.281  1.00  0.00           C  
HETATM   10  O2  UNL     1       6.354   1.321   2.079  1.00  0.00           O  
HETATM   11  O3  UNL     1       7.937   2.907   1.745  1.00  0.00           O  
HETATM   12  C9  UNL     1       1.802  -1.542  -0.245  1.00  0.00           C  
HETATM   13  C10 UNL     1       1.361  -1.980  -1.667  1.00  0.00           C  
HETATM   14  C11 UNL     1      -0.127  -1.785  -1.696  1.00  0.00           C  
HETATM   15  O4  UNL     1      -0.860  -1.667  -2.637  1.00  0.00           O  
HETATM   16  C12 UNL     1      -0.464  -1.777  -0.243  1.00  0.00           C  
HETATM   17  C13 UNL     1      -0.157  -3.152   0.256  1.00  0.00           C  
HETATM   18  C14 UNL     1      -1.777  -1.265   0.117  1.00  0.00           C  
HETATM   19  C15 UNL     1      -1.905  -0.065   0.671  1.00  0.00           C  
HETATM   20  C16 UNL     1      -0.820   0.445   1.548  1.00  0.00           C  
HETATM   21  O5  UNL     1      -0.831   1.480   2.188  1.00  0.00           O  
HETATM   22  C17 UNL     1       0.363  -0.481   1.581  1.00  0.00           C  
HETATM   23  O6  UNL     1       1.377  -0.069   2.382  1.00  0.00           O  
HETATM   24  C18 UNL     1       0.645  -0.758   0.154  1.00  0.00           C  
HETATM   25  C19 UNL     1       0.382   0.432  -0.777  1.00  0.00           C  
HETATM   26  C20 UNL     1      -3.078   0.823   0.472  1.00  0.00           C  
HETATM   27  C21 UNL     1      -2.604   2.134  -0.176  1.00  0.00           C  
HETATM   28  C22 UNL     1      -3.655   1.100   1.836  1.00  0.00           C  
HETATM   29  C23 UNL     1      -5.099   1.474   1.840  1.00  0.00           C  
HETATM   30  C24 UNL     1      -5.605   1.822   0.502  1.00  0.00           C  
HETATM   31  O7  UNL     1      -6.221   2.840   0.327  1.00  0.00           O  
HETATM   32  C25 UNL     1      -5.348   0.907  -0.625  1.00  0.00           C  
HETATM   33  C26 UNL     1      -5.448   1.671  -1.944  1.00  0.00           C  
HETATM   34  C27 UNL     1      -6.527  -0.069  -0.650  1.00  0.00           C  
HETATM   35  C28 UNL     1      -4.031   0.199  -0.487  1.00  0.00           C  
HETATM   36  C29 UNL     1      -4.268  -1.235  -0.132  1.00  0.00           C  
HETATM   37  C30 UNL     1      -3.004  -2.062  -0.107  1.00  0.00           C  
HETATM   38  O8  UNL     1      -3.199  -2.995   0.944  1.00  0.00           O  
HETATM   39  H1  UNL     1       3.819  -2.890  -0.956  1.00  0.00           H  
HETATM   40  H2  UNL     1       4.799  -1.575  -1.578  1.00  0.00           H  
HETATM   41  H3  UNL     1       4.873  -2.112   0.210  1.00  0.00           H  
HETATM   42  H4  UNL     1       2.588   0.902   0.220  1.00  0.00           H  
HETATM   43  H5  UNL     1       6.180   0.215  -1.504  1.00  0.00           H  
HETATM   44  H6  UNL     1       6.424  -0.423   0.145  1.00  0.00           H  
HETATM   45  H7  UNL     1       6.874   2.445  -0.764  1.00  0.00           H  
HETATM   46  H8  UNL     1       8.475  -0.071  -0.423  1.00  0.00           H  
HETATM   47  H9  UNL     1       9.257   1.380   0.238  1.00  0.00           H  
HETATM   48  H10 UNL     1       8.788   1.299  -1.520  1.00  0.00           H  
HETATM   49  H11 UNL     1       7.947   3.842   1.323  1.00  0.00           H  
HETATM   50  H12 UNL     1       1.887  -2.433   0.413  1.00  0.00           H  
HETATM   51  H13 UNL     1       1.688  -2.985  -1.912  1.00  0.00           H  
HETATM   52  H14 UNL     1       1.864  -1.291  -2.404  1.00  0.00           H  
HETATM   53  H15 UNL     1       0.148  -3.243   1.293  1.00  0.00           H  
HETATM   54  H16 UNL     1      -1.127  -3.727   0.169  1.00  0.00           H  
HETATM   55  H17 UNL     1       0.515  -3.737  -0.439  1.00  0.00           H  
HETATM   56  H18 UNL     1      -0.066  -1.404   2.089  1.00  0.00           H  
HETATM   57  H19 UNL     1       1.033   0.190   3.255  1.00  0.00           H  
HETATM   58  H20 UNL     1       0.298   1.385  -0.238  1.00  0.00           H  
HETATM   59  H21 UNL     1       1.147   0.455  -1.609  1.00  0.00           H  
HETATM   60  H22 UNL     1      -0.571   0.326  -1.347  1.00  0.00           H  
HETATM   61  H23 UNL     1      -3.444   2.859  -0.189  1.00  0.00           H  
HETATM   62  H24 UNL     1      -1.717   2.547   0.314  1.00  0.00           H  
HETATM   63  H25 UNL     1      -2.383   1.880  -1.232  1.00  0.00           H  
HETATM   64  H26 UNL     1      -3.416   0.295   2.531  1.00  0.00           H  
HETATM   65  H27 UNL     1      -3.099   2.009   2.215  1.00  0.00           H  
HETATM   66  H28 UNL     1      -5.665   0.563   2.183  1.00  0.00           H  
HETATM   67  H29 UNL     1      -5.305   2.274   2.593  1.00  0.00           H  
HETATM   68  H30 UNL     1      -6.307   2.363  -1.890  1.00  0.00           H  
HETATM   69  H31 UNL     1      -4.540   2.205  -2.215  1.00  0.00           H  
HETATM   70  H32 UNL     1      -5.722   0.889  -2.710  1.00  0.00           H  
HETATM   71  H33 UNL     1      -7.437   0.602  -0.669  1.00  0.00           H  
HETATM   72  H34 UNL     1      -6.620  -0.667   0.251  1.00  0.00           H  
HETATM   73  H35 UNL     1      -6.570  -0.626  -1.603  1.00  0.00           H  
HETATM   74  H36 UNL     1      -3.548   0.212  -1.494  1.00  0.00           H  
HETATM   75  H37 UNL     1      -4.770  -1.237   0.878  1.00  0.00           H  
HETATM   76  H38 UNL     1      -4.951  -1.656  -0.917  1.00  0.00           H  
HETATM   77  H39 UNL     1      -2.925  -2.652  -1.051  1.00  0.00           H  
HETATM   78  H40 UNL     1      -2.653  -2.625   1.705  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3    3   12
CONECT    3    4   42
CONECT    4    5    5    6
CONECT    6    7   43   44
CONECT    7    8    9   45
CONECT    8   46   47   48
CONECT    9   10   10   11
CONECT   11   49
CONECT   12   13   24   50
CONECT   13   14   51   52
CONECT   14   15   15   16
CONECT   16   17   18   24
CONECT   17   53   54   55
CONECT   18   19   19   37
CONECT   19   20   26
CONECT   20   21   21   22
CONECT   22   23   24   56
CONECT   23   57
CONECT   24   25
CONECT   25   58   59   60
CONECT   26   27   28   35
CONECT   27   61   62   63
CONECT   28   29   64   65
CONECT   29   30   66   67
CONECT   30   31   31   32
CONECT   32   33   34   35
CONECT   33   68   69   70
CONECT   34   71   72   73
CONECT   35   36   74
CONECT   36   37   75   76
CONECT   37   38   77
CONECT   38   78
END

HMDB0035797
     RDKit          3D
Ganoderenic acid E
 78 81  0  0  0  0  0  0  0  0999 V2000
    4.2514   -1.8683   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1451   -0.9463   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4633    0.2910   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7310    0.9431   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6800    2.2030    0.2621 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    0.4395   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1101    1.5619   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925    1.0278   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    1.9085    1.2814 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545    1.3209    2.0791 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9370    2.9072    1.7450 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   -1.5421   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -1.9803   -1.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1267   -1.7852   -1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8597   -1.6666   -2.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4639   -1.7768   -0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1573   -3.1522    0.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7767   -1.2654    0.1171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9052   -0.0649    0.6710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8196    0.4450    1.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    1.4804    2.1878 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3631   -0.4810    1.5808 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3767   -0.0685    2.3821 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -0.7577    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3825    0.4321   -0.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    0.8232    0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6044    2.1342   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6553    1.1002    1.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0992    1.4742    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6047    1.8219    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206    2.8404    0.3271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3483    0.9072   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4481    1.6706   -1.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5265   -0.0686   -0.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0311    0.1994   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2678   -1.2350   -0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0041   -2.0621   -0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.9950    0.9443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8194   -2.8901   -0.9558 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7992   -1.5745   -1.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8726   -2.1123    0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5880    0.9023    0.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1802    0.2150   -1.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4242   -0.4227    0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8739    2.4450   -0.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4750   -0.0706   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2566    1.3801    0.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7883    1.2991   -1.5202 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9473    3.8419    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8874   -2.4330    0.4125 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6882   -2.9850   -1.9116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8637   -1.2910   -2.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484   -3.2435    1.2932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1271   -3.7270    0.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154   -3.7374   -0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660   -1.4038    2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0325    0.1896    3.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2980    1.3854   -0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    0.4553   -1.6088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5710    0.3260   -1.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4438    2.8589   -0.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7174    2.5474    0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3830    1.8802   -1.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.2950    2.5305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992    2.0093    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6655    0.5632    2.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3052    2.2743    2.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3073    2.3628   -1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5401    2.2047   -2.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7216    0.8891   -2.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4367    0.6016   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6199   -0.6673    0.2514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5700   -0.6255   -1.6033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5479    0.2122   -1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7702   -1.2373    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9506   -1.6560   -0.9173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9248   -2.6525   -1.0512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6531   -2.6249    1.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 19 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 24 12  1  0
 35 26  1  0
 24 16  1  0
 37 18  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  3 42  1  0
  6 43  1  0
  6 44  1  0
  7 45  1  0
  8 46  1  0
  8 47  1  0
  8 48  1  0
 11 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 17 53  1  0
 17 54  1  0
 17 55  1  0
 22 56  1  0
 23 57  1  0
 25 58  1  0
 25 59  1  0
 25 60  1  0
 27 61  1  0
 27 62  1  0
 27 63  1  0
 28 64  1  0
 28 65  1  0
 29 66  1  0
 29 67  1  0
 33 68  1  0
 33 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 34 73  1  0
 35 74  1  0
 36 75  1  0
 36 76  1  0
 37 77  1  0
 38 78  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Ganoderenate e	Generator
(5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoate	Generator

Chemical Formula

C₃₀H₄₀O₈

Average Molecular Weight

528.6338

Monoisotopic Molecular Weight

528.272318256

IUPAC Name

(5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid

Traditional Name

(5E)-6-{9,16-dihydroxy-2,6,6,11,15-pentamethyl-5,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxohept-5-enoic acid

CAS Registry Number

110241-23-1

SMILES

CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O

InChI Identifier

InChI=1S/C30H40O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h10,15,17-19,25,32,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+

InChI Key

UFIFFDILGAASQL-GXDHUFHOSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
23-oxosteroid
Steroid acid
3-oxosteroid
12-hydroxysteroid
Hydroxysteroid
11-oxosteroid
15-oxosteroid
Oxosteroid
7-hydroxysteroid
Steroid
Medium-chain keto acid
Gamma-keto acid
Branched fatty acid
Methyl-branched fatty acid
Cyclohexenone
Hydroxy fatty acid
Unsaturated fatty acid
Fatty acyl
Keto acid
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Secondary alcohol
Cyclic ketone
Ketone
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organooxygen compound
Organic oxygen compound
Organic oxide
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (HMDB: HMDB0035797)
Cell membrane (HMDB: HMDB0035797)

Cellular substructure

Extracellular (HMDB: HMDB0035797)
Membrane (HMDB: HMDB0035797)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0035797)

Source

Endogenous

Endogenous (HMDB: HMDB0035797)

Plant

Plant (HMDB: HMDB0035797)

Animal

Animal (HMDB: HMDB0035797)

Exogenous

Food

Food (HMDB: HMDB0035797)

Vegetable

Mushroom

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0035797)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0035797)

Cellular process

Cell signaling (HMDB: HMDB0035797)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0035797)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0035797)

Nutrient

Nutrient (HMDB: HMDB0035797)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0035797)

Emulsifier (HMDB: HMDB0035797)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	227 - 229 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.021 g/L	ALOGPS
logP	2.99	ALOGPS
logP	3.11	ChemAxon
logS	-4.4	ALOGPS
pKa (Strongest Acidic)	4.13	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	146.04 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	140.27 m³·mol⁻¹	ChemAxon
Polarizability	56.7 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M-2H]-	256.118	30932474
DeepCCS	[M+Na]+	231.431	30932474
AllCCS	[M+H]+	221.9	32859911
AllCCS	[M+H-H2O]+	220.5	32859911
AllCCS	[M+NH4]+	223.3	32859911
AllCCS	[M+Na]+	223.6	32859911
AllCCS	[M-H]-	225.9	32859911
AllCCS	[M+Na-2H]-	228.6	32859911
AllCCS	[M+HCOO]-	231.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Ganoderenic acid E	CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	4845.6	Standard polar	33892256
Ganoderenic acid E	CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	3463.0	Standard non polar	33892256
Ganoderenic acid E	CC(CC(=O)\C=C(/C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O)C(O)=O	4062.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Ganoderenic acid E,1TMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4078.6	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4044.4	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4163.0	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3916.7	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4275.4	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3973.1	Semi standard non polar	33892256
Ganoderenic acid E,1TMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3984.9	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4037.5	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #10	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3816.5	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #11	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3790.0	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3891.6	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #13	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4209.9	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #14	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3897.1	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #15	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3907.9	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #16	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3998.2	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #17	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3721.3	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3705.8	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #19	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3975.8	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3919.3	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	4023.1	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #21	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3747.0	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3776.0	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #4	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4122.4	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #5	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3840.9	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3804.7	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3998.5	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #8	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3775.9	Semi standard non polar	33892256
Ganoderenic acid E,2TMS,isomer #9	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4095.8	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3872.9	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #10	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3850.7	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #11	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3639.5	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3610.3	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #13	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3859.7	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3864.7	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #15	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3654.7	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #16	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3748.9	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3995.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3750.6	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #19	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3734.3	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3756.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3849.4	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #21	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3640.5	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #22	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3611.7	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #23	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3841.9	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #24	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3849.4	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #25	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3649.0	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #26	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3941.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #27	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3693.2	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #28	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3682.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #29	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3901.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #3	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4038.1	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #30	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3940.2	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #31	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3687.8	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #32	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3794.3	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #33	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3795.9	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #34	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3589.9	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #35	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3786.5	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3790.8	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #5	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3748.4	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3675.6	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #7	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3950.8	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #8	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3745.4	Semi standard non polar	33892256
Ganoderenic acid E,3TMS,isomer #9	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3675.9	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3662.6	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3942.4	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #10	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3603.5	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #10	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3588.1	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #11	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3739.5	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #11	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4019.6	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3587.5	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3737.7	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #13	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3559.6	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #13	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3671.0	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3784.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3829.8	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #15	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3739.0	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #15	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3772.2	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #16	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3582.0	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #16	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3548.8	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3711.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3841.3	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #18	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3688.4	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #18	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3775.7	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #19	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3525.9	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #19	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3546.3	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #2	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3892.4	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #2	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4033.0	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3692.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3618.7	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #21	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3801.2	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #21	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4007.4	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #22	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3615.2	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #22	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3747.5	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #23	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3590.7	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #23	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3682.1	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #24	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3785.9	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #24	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3843.3	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #25	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3782.8	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #25	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3794.9	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #26	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3589.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #26	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3581.2	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #27	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3709.1	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #27	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3800.2	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #28	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3698.8	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #28	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3738.4	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #29	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3534.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #29	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3523.9	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3714.0	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3764.7	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #30	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3691.4	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #30	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3615.8	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #31	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3739.4	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #31	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3822.1	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #32	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3736.9	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #32	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3762.2	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #33	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3558.6	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #33	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3554.1	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #34	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3716.7	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #34	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3641.5	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #35	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3665.9	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #35	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3579.0	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3648.2	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3705.1	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3797.3	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4073.5	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3615.2	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3796.2	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3588.6	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3727.6	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #8	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3810.4	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #8	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3857.8	Standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #9	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3787.2	Semi standard non polar	33892256
Ganoderenic acid E,4TMS,isomer #9	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3803.6	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #1	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3703.0	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #1	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	4048.2	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #10	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3633.2	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #10	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3646.3	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #11	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3631.3	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #11	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3798.0	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #12	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3602.8	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #12	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3736.3	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #13	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3479.0	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #13	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3529.4	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3618.1	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3599.1	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #15	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3564.5	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #15	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3605.8	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #16	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3669.1	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #16	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3809.6	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3654.4	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3751.2	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3503.3	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3554.5	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #19	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3626.1	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #19	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3643.8	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3561.3	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3772.0	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3586.5	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3575.1	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #21	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3596.8	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #21	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3616.6	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3523.6	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3698.6	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #4	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3742.8	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #4	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C	3834.1	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3697.4	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3781.6	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3544.2	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C	3575.3	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #7	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3656.1	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #7	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	3862.4	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #8	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3622.7	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #8	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3798.7	Standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #9	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3485.0	Semi standard non polar	33892256
Ganoderenic acid E,5TMS,isomer #9	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C)C1C=C(O[Si](C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C)=C(O[Si](C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C)C(C)(C)C1CC3O	3589.6	Standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4313.9	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4289.5	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4408.7	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4191.0	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #5	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4506.7	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4216.6	Semi standard non polar	33892256
Ganoderenic acid E,1TBDMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4222.5	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4495.0	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #10	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4295.9	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #11	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4279.4	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4374.7	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #13	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4653.1	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #14	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4365.9	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #15	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4384.8	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #16	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4459.6	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #17	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4200.3	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4182.7	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #19	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4434.1	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4399.3	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4484.4	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #21	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4212.7	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #3	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4265.6	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #4	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4580.9	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #5	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4310.1	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4283.9	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #7	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4465.6	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #8	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4281.4	Semi standard non polar	33892256
Ganoderenic acid E,2TBDMS,isomer #9	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4548.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #1	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4568.6	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #10	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4502.5	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #11	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4290.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #12	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4260.6	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #13	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4510.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #14	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4521.6	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #15	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4285.5	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #16	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4455.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #17	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4679.3	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #18	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4449.4	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #19	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4445.1	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #2	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4441.5	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #20	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4520.4	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #21	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4305.6	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #22	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4292.3	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #23	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4506.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #24	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4520.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #25	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4296.3	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #26	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4591.9	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #27	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4349.1	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #28	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4342.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #29	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4562.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #3	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4704.4	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #30	C/C(=C\C(=CC(C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4602.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #31	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4346.5	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #32	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4415.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #33	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4415.0	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #34	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4202.1	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #35	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4401.2	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #4	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O	4462.8	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #5	C/C(=C\C(=O)CC(C)C(=O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O	4447.8	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #6	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(O[Si](C)(C)C(C)(C)C)=C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4377.7	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #7	C/C(=C\C(=CC(C)C(=O)O)O[Si](C)(C)C(C)(C)C)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4637.4	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #8	C/C(=C\C(=O)CC(C)C(=O)O)C1C=C(O[Si](C)(C)C(C)(C)C)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CCC(=O)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4420.5	Semi standard non polar	33892256
Ganoderenic acid E,3TBDMS,isomer #9	C/C(=C\C(=O)CC(C)C(=O)O)C1CC(=O)C2(C)C3=C(C(=O)C(O[Si](C)(C)C(C)(C)C)C12C)C1(C)CC=C(O[Si](C)(C)C(C)(C)C)C(C)(C)C1CC3O[Si](C)(C)C(C)(C)C	4379.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dj-1453970000-99c5fa56b877dc6d8bff	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (2 TMS) - 70eV, Positive	splash10-0a4i-1111039000-96253399929b6951526c	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Ganoderenic acid E GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 10V, Positive-QTOF	splash10-03fr-1001790000-d6267c0178b19f4ea935	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 20V, Positive-QTOF	splash10-029f-1001910000-5f1c4f10adf1e183bd2f	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 40V, Positive-QTOF	splash10-00l6-5006900000-928d74c9646ac406901a	2016-06-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 10V, Negative-QTOF	splash10-004i-0000290000-1a310a7f1be85ea9e695	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 20V, Negative-QTOF	splash10-0630-6101960000-263abee82e5352b3d838	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 40V, Negative-QTOF	splash10-044i-6122910000-dae082d9c0e0c2c64598	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 10V, Negative-QTOF	splash10-004i-0000390000-c248a40f7c265f2180e6	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 20V, Negative-QTOF	splash10-00o0-0001920000-3b089e5e40cb3e25ecbe	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 40V, Negative-QTOF	splash10-0gbi-1001900000-52ae95c80b671b7620ee	2021-09-21	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 10V, Positive-QTOF	splash10-07bf-0006930000-ac0f4756d268fdcbaff6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 20V, Positive-QTOF	splash10-001m-7409530000-c269247b12676a38e330	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ganoderenic acid E 40V, Positive-QTOF	splash10-02u0-9521100000-4c46a5e887d233c96029	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB014547

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

131751865

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Ganoderenic acid E (HMDB0035797)

MOL for HMDB0035797 (Ganoderenic acid E)

3D MOL for HMDB0035797 (Ganoderenic acid E)

3D SDF for HMDB0035797 (Ganoderenic acid E)

3D-SDF for HMDB0035797 (Ganoderenic acid E)

PDB for HMDB0035797 (Ganoderenic acid E)

3D PDB for HMDB0035797 (Ganoderenic acid E)

SMILES for HMDB0035797 (Ganoderenic acid E)

INCHI for HMDB0035797 (Ganoderenic acid E)

Structure for HMDB0035797 (Ganoderenic acid E)

3D Structure for HMDB0035797 (Ganoderenic acid E)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra