Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:12:32 UTC

Update Date

2022-03-07 02:56:40 UTC

HMDB ID

HMDB0040647

Secondary Accession Numbers

HMDB40647

Metabolite Identification

Common Name

16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside

Description

16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is found in cereals and cereal products. 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside is a constituent of rice (Oryza sativa) flower anthers.

Structure

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


  Mrv1652307292020452D          

 39 44  0  0  1  0            999 V2000
    0.1402   -0.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0861    0.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.7794    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8608    1.4823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4440    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3958   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032   -1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -1.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031   -0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3659   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984    0.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433   -1.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -0.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -0.3058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3594   -0.7181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6449   -0.3058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6449    0.5193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7884   -0.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    0.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2826    0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -0.5691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2825   -0.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536   -0.9816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1391    0.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4247    0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1391   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8536   -1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958    0.6683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6739    1.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  6  0  0  0
  6  2  1  6  0  0  0
  1  8  1  0  0  0  0
  1  9  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
  5 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  1  6  0  0  0
 23  5  1  0  0  0  0
 22 16  1  1  0  0  0
 22  1  1  0  0  0  0
 21 14  1  0  0  0  0
 21 13  1  6  0  0  0
 20 24  1  1  0  0  0
 29 27  1  0  0  0  0
 29 33  1  0  0  0  0
 27 25  1  0  0  0  0
 33 30  1  0  0  0  0
 25 34  1  0  0  0  0
 30 34  1  0  0  0  0
 25 26  1  1  0  0  0
 27 28  1  6  0  0  0
 29 35  1  1  0  0  0
 30 31  1  1  0  0  0
 34 32  1  6  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
  6 38  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  6  0  0  0
M  END

HMDB0040647
     RDKit          3D
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
 73 78  0  0  0  0  0  0  0  0999 V2000
   -5.4720    2.0242    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559    0.8082    0.6399 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8394   -0.3860    1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.6342    2.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121   -1.1811    0.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372   -0.5492   -0.3158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1694   -0.9770   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    0.0267   -1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9912    0.3680   -0.4536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9299    1.3458   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696    0.9123    0.0099 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5864    1.1612    1.0320 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3103    2.5749    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005    3.0531    2.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    3.4723    0.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4533    0.3118    0.6027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8651   -0.4170    1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -1.0049    1.1619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0867   -2.2186    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -2.0748   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.6844   -0.3929 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9022    0.0918    0.3126 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7672    0.8878    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -0.2883   -1.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -0.9786   -1.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7660   -0.4526   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -0.2562   -1.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    0.2305   -1.1590 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0998   -0.5701   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800   -0.5611   -3.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    0.4493    0.3093 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5373    1.7391    0.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090   -0.6157    1.1725 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3555   -1.4954    1.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -1.4329    0.3314 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4597   -2.0193    1.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    1.0441    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0938    1.9434    2.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1251    2.9525    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5833    2.0270    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651   -1.0076   -2.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6211   -1.9809   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9391    0.8874   -2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -0.5085   -2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -0.5545   -0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5812    2.2298   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370    1.5705   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941    0.7141    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    3.6343   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.2405    2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    0.2628    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -1.3020    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.0442    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -2.5960   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.5864   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247   -2.6787    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -0.3566   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    1.7683    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    0.6363   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.9363   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075    0.5225   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0341    1.2461   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325   -0.0967   -1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0869   -1.5932   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   -0.8887   -3.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0945    0.4884    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.3403   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109   -0.1311    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520   -2.3217    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738   -2.2177   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -2.0841    2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    1.1702   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    2.0280    0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 22 37  1  0
  9  2  1  0
 21 16  1  0
 35 26  1  0
 11  2  1  0
 16 37  1  6
 21  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  1
 10 46  1  0
 11 47  1  6
 12 48  1  1
 15 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  1
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  6
 23 58  1  0
 24 59  1  0
 24 60  1  0
 26 61  1  1
 28 62  1  6
 29 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  1
 32 67  1  0
 33 68  1  1
 34 69  1  0
 35 70  1  6
 36 71  1  0
 37 72  1  0
 37 73  1  0
M  END


  Mrv1652307292020452D          

 39 44  0  0  1  0            999 V2000
    0.1402   -0.5591    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0861    0.9376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3767    1.5712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399    1.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1453    0.7794    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8608    1.4823    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4440    0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6203    0.1046    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3958   -1.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2032   -1.5143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553   -1.9571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433    1.3426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031   -0.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3659   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1984    0.0230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6433   -1.1253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1144   -0.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3594    0.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    0.5193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -0.3058    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3594   -0.7181    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6449   -0.3058    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6449    0.5193    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7884   -0.7183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681    0.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2826    0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -0.5691    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2825   -0.9815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536   -0.9816    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1391    0.2559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4247    0.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1391   -0.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8536    0.6684    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8536   -1.8065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5681   -2.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958    0.6683    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6739    1.1380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  7  8  1  0  0  0  0
  8  2  1  6  0  0  0
  6  2  1  6  0  0  0
  1  8  1  0  0  0  0
  1  9  1  1  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 13 15  2  0  0  0  0
  5 17  1  1  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 12  1  6  0  0  0
 23  5  1  0  0  0  0
 22 16  1  1  0  0  0
 22  1  1  0  0  0  0
 21 14  1  0  0  0  0
 21 13  1  6  0  0  0
 20 24  1  1  0  0  0
 29 27  1  0  0  0  0
 29 33  1  0  0  0  0
 27 25  1  0  0  0  0
 33 30  1  0  0  0  0
 25 34  1  0  0  0  0
 30 34  1  0  0  0  0
 25 26  1  1  0  0  0
 27 28  1  6  0  0  0
 29 35  1  1  0  0  0
 30 31  1  1  0  0  0
 34 32  1  6  0  0  0
 35 36  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  1  0  0  0  0
  6 38  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0040647

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H36O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h10-18,20,26-30,34H,2-9H2,1H3,(H,31,32)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,22-,23-,24+,25-/m1/s1

> <INCHI_KEY>
XKXOQMAKWNRIFD-MHDFSROXSA-N

> <FORMULA>
C25H36O12

> <MOLECULAR_WEIGHT>
528.551

> <EXACT_MASS>
528.220676599

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
52.973615337621524

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-11-methyl-16-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid

> <ALOGPS_LOGP>
-0.97

> <JCHEM_LOGP>
-2.2249872410000013

> <ALOGPS_LOGS>
-1.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.19659004518244

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.932165866116017

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083423635071

> <JCHEM_POLAR_SURFACE_AREA>
203.43999999999997

> <JCHEM_REFRACTIVITY>
119.94040000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.42e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-11-methyl-16-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040647
     RDKit          3D
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
 73 78  0  0  0  0  0  0  0  0999 V2000
   -5.4720    2.0242    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559    0.8082    0.6399 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8394   -0.3860    1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.6342    2.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121   -1.1811    0.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372   -0.5492   -0.3158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1694   -0.9770   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    0.0267   -1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9912    0.3680   -0.4536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9299    1.3458   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696    0.9123    0.0099 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5864    1.1612    1.0320 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3103    2.5749    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005    3.0531    2.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    3.4723    0.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4533    0.3118    0.6027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8651   -0.4170    1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -1.0049    1.1619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0867   -2.2186    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -2.0748   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.6844   -0.3929 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9022    0.0918    0.3126 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7672    0.8878    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -0.2883   -1.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -0.9786   -1.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7660   -0.4526   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -0.2562   -1.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    0.2305   -1.1590 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0998   -0.5701   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800   -0.5611   -3.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    0.4493    0.3093 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5373    1.7391    0.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090   -0.6157    1.1725 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3555   -1.4954    1.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -1.4329    0.3314 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4597   -2.0193    1.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    1.0441    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0938    1.9434    2.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1251    2.9525    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5833    2.0270    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651   -1.0076   -2.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6211   -1.9809   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9391    0.8874   -2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -0.5085   -2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -0.5545   -0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5812    2.2298   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370    1.5705   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941    0.7141    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    3.6343   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.2405    2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    0.2628    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -1.3020    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.0442    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -2.5960   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.5864   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247   -2.6787    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -0.3566   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    1.7683    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    0.6363   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.9363   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075    0.5225   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0341    1.2461   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325   -0.0967   -1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0869   -1.5932   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   -0.8887   -3.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0945    0.4884    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.3403   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109   -0.1311    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520   -2.3217    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738   -2.2177   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -2.0841    2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    1.1702   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    2.0280    0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 22 37  1  0
  9  2  1  0
 21 16  1  0
 35 26  1  0
 11  2  1  0
 16 37  1  6
 21  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  1
 10 46  1  0
 11 47  1  6
 12 48  1  1
 15 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  1
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  6
 23 58  1  0
 24 59  1  0
 24 60  1  0
 26 61  1  1
 28 62  1  6
 29 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  1
 32 67  1  0
 33 68  1  1
 34 69  1  0
 35 70  1  6
 36 71  1  0
 37 72  1  0
 37 73  1  0
M  END

HEADER    PROTEIN                                 29-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-JUL-20         0                                  
HETATM    1  C   UNK     0       0.262  -1.044   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.027   1.750   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.703   2.933   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.128   3.517   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.271   1.455   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.473   2.767   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.695   0.103   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.158   0.195   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.739  -2.508   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       2.246  -2.827   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -0.290  -3.653   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      -1.201   2.506   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -3.366  -0.134   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.550  -2.881   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.237   0.043   0.000  0.00  0.00           O+0
HETATM   16  H   UNK     0      -1.201  -2.101   0.000  0.00  0.00           H+0
HETATM   17  H   UNK     0      -0.214  -0.007   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0      -2.538   1.739   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.871   0.969   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.871  -0.571   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.538  -1.340   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.204  -0.571   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.204   0.969   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -5.205  -1.341   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      10.394   0.477   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      11.728   1.247   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      10.394  -1.062   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      11.727  -1.832   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       9.060  -1.832   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       7.726   0.478   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       6.393   1.247   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.060   2.787   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       7.726  -1.062   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       9.060   1.248   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       9.060  -3.372   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      10.394  -4.142   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.059   0.477   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.725   1.247   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.991   2.124   0.000  0.00  0.00           O+0
CONECT    1    8    9   22                                                  
CONECT    2    8    6                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    8   17   23                                             
CONECT    6    4    2   38                                                  
CONECT    7    8   38                                                       
CONECT    8    5    7    2    1                                             
CONECT    9    1   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9                                                            
CONECT   12   13   23                                                       
CONECT   13   12   15   21                                                  
CONECT   14   21                                                            
CONECT   15   13                                                            
CONECT   16   22                                                            
CONECT   17    5                                                            
CONECT   18   19   23                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22   14   13                                             
CONECT   22   21   23   16    1                                             
CONECT   23   18   22   12    5                                             
CONECT   24   20                                                            
CONECT   25   27   34   26                                                  
CONECT   26   25                                                            
CONECT   27   29   25   28                                                  
CONECT   28   27                                                            
CONECT   29   27   33   35                                                  
CONECT   30   33   34   31                                                  
CONECT   31   30   37                                                       
CONECT   32   34                                                            
CONECT   33   29   30                                                       
CONECT   34   25   30   32                                                  
CONECT   35   29   36                                                       
CONECT   36   35                                                            
CONECT   37   31   38                                                       
CONECT   38   37    6    7   39                                             
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

COMPND    HMDB0040647
HETATM    1  C1  UNL     1      -5.472   2.024   1.373  1.00  0.00           C  
HETATM    2  C2  UNL     1      -5.056   0.808   0.640  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.839  -0.386   1.521  1.00  0.00           C  
HETATM    4  O1  UNL     1      -5.375  -0.634   2.621  1.00  0.00           O  
HETATM    5  O2  UNL     1      -3.912  -1.181   0.870  1.00  0.00           O  
HETATM    6  C4  UNL     1      -3.437  -0.549  -0.316  1.00  0.00           C  
HETATM    7  C5  UNL     1      -4.169  -0.977  -1.540  1.00  0.00           C  
HETATM    8  C6  UNL     1      -5.308   0.027  -1.743  1.00  0.00           C  
HETATM    9  C7  UNL     1      -5.991   0.368  -0.454  1.00  0.00           C  
HETATM   10  O3  UNL     1      -6.930   1.346  -0.693  1.00  0.00           O  
HETATM   11  C8  UNL     1      -3.670   0.912   0.010  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.586   1.161   1.032  1.00  0.00           C  
HETATM   13  C10 UNL     1      -2.310   2.575   1.252  1.00  0.00           C  
HETATM   14  O4  UNL     1      -2.401   3.053   2.415  1.00  0.00           O  
HETATM   15  O5  UNL     1      -1.944   3.472   0.259  1.00  0.00           O  
HETATM   16  C11 UNL     1      -1.453   0.312   0.603  1.00  0.00           C  
HETATM   17  C12 UNL     1      -0.865  -0.417   1.800  1.00  0.00           C  
HETATM   18  C13 UNL     1       0.380  -1.005   1.162  1.00  0.00           C  
HETATM   19  C14 UNL     1      -0.087  -2.219   0.395  1.00  0.00           C  
HETATM   20  C15 UNL     1      -1.463  -2.075  -0.157  1.00  0.00           C  
HETATM   21  C16 UNL     1      -1.938  -0.684  -0.393  1.00  0.00           C  
HETATM   22  C17 UNL     1       0.902   0.092   0.313  1.00  0.00           C  
HETATM   23  O6  UNL     1       1.767   0.888   1.084  1.00  0.00           O  
HETATM   24  C18 UNL     1       1.463  -0.288  -1.006  1.00  0.00           C  
HETATM   25  O7  UNL     1       2.616  -0.979  -1.084  1.00  0.00           O  
HETATM   26  C19 UNL     1       3.766  -0.453  -0.600  1.00  0.00           C  
HETATM   27  O8  UNL     1       4.714  -0.256  -1.637  1.00  0.00           O  
HETATM   28  C20 UNL     1       5.895   0.230  -1.159  1.00  0.00           C  
HETATM   29  C21 UNL     1       7.100  -0.570  -1.611  1.00  0.00           C  
HETATM   30  O9  UNL     1       7.180  -0.561  -3.002  1.00  0.00           O  
HETATM   31  C22 UNL     1       5.991   0.449   0.309  1.00  0.00           C  
HETATM   32  O10 UNL     1       5.537   1.739   0.673  1.00  0.00           O  
HETATM   33  C23 UNL     1       5.409  -0.616   1.172  1.00  0.00           C  
HETATM   34  O11 UNL     1       6.355  -1.495   1.691  1.00  0.00           O  
HETATM   35  C24 UNL     1       4.432  -1.433   0.331  1.00  0.00           C  
HETATM   36  O12 UNL     1       3.460  -2.019   1.125  1.00  0.00           O  
HETATM   37  C25 UNL     1      -0.277   1.044   0.007  1.00  0.00           C  
HETATM   38  H1  UNL     1      -5.094   1.943   2.427  1.00  0.00           H  
HETATM   39  H2  UNL     1      -5.125   2.953   0.891  1.00  0.00           H  
HETATM   40  H3  UNL     1      -6.583   2.027   1.458  1.00  0.00           H  
HETATM   41  H4  UNL     1      -3.565  -1.008  -2.455  1.00  0.00           H  
HETATM   42  H5  UNL     1      -4.621  -1.981  -1.345  1.00  0.00           H  
HETATM   43  H6  UNL     1      -4.939   0.887  -2.307  1.00  0.00           H  
HETATM   44  H7  UNL     1      -6.055  -0.509  -2.377  1.00  0.00           H  
HETATM   45  H8  UNL     1      -6.566  -0.555  -0.146  1.00  0.00           H  
HETATM   46  H9  UNL     1      -6.581   2.230  -0.889  1.00  0.00           H  
HETATM   47  H10 UNL     1      -3.637   1.570  -0.852  1.00  0.00           H  
HETATM   48  H11 UNL     1      -2.994   0.714   1.988  1.00  0.00           H  
HETATM   49  H12 UNL     1      -2.539   3.634  -0.533  1.00  0.00           H  
HETATM   50  H13 UNL     1      -1.572  -1.241   2.086  1.00  0.00           H  
HETATM   51  H14 UNL     1      -0.644   0.263   2.630  1.00  0.00           H  
HETATM   52  H15 UNL     1       1.020  -1.302   2.019  1.00  0.00           H  
HETATM   53  H16 UNL     1      -0.136  -3.044   1.169  1.00  0.00           H  
HETATM   54  H17 UNL     1       0.660  -2.596  -0.333  1.00  0.00           H  
HETATM   55  H18 UNL     1      -1.456  -2.586  -1.166  1.00  0.00           H  
HETATM   56  H19 UNL     1      -2.225  -2.679   0.420  1.00  0.00           H  
HETATM   57  H20 UNL     1      -1.651  -0.357  -1.433  1.00  0.00           H  
HETATM   58  H21 UNL     1       1.789   1.768   0.661  1.00  0.00           H  
HETATM   59  H22 UNL     1       1.440   0.636  -1.646  1.00  0.00           H  
HETATM   60  H23 UNL     1       0.671  -0.936  -1.499  1.00  0.00           H  
HETATM   61  H24 UNL     1       3.707   0.522  -0.107  1.00  0.00           H  
HETATM   62  H25 UNL     1       6.034   1.246  -1.639  1.00  0.00           H  
HETATM   63  H26 UNL     1       8.033  -0.097  -1.242  1.00  0.00           H  
HETATM   64  H27 UNL     1       7.087  -1.593  -1.185  1.00  0.00           H  
HETATM   65  H28 UNL     1       6.327  -0.889  -3.353  1.00  0.00           H  
HETATM   66  H29 UNL     1       7.094   0.488   0.560  1.00  0.00           H  
HETATM   67  H30 UNL     1       5.789   2.340  -0.087  1.00  0.00           H  
HETATM   68  H31 UNL     1       4.811  -0.131   1.976  1.00  0.00           H  
HETATM   69  H32 UNL     1       5.852  -2.322   1.953  1.00  0.00           H  
HETATM   70  H33 UNL     1       4.974  -2.218  -0.246  1.00  0.00           H  
HETATM   71  H34 UNL     1       3.795  -2.084   2.049  1.00  0.00           H  
HETATM   72  H35 UNL     1      -0.432   1.170  -1.076  1.00  0.00           H  
HETATM   73  H36 UNL     1      -0.152   2.028   0.450  1.00  0.00           H  
CONECT    1    2   38   39   40
CONECT    2    3    9   11
CONECT    3    4    4    5
CONECT    5    6
CONECT    6    7   11   21
CONECT    7    8   41   42
CONECT    8    9   43   44
CONECT    9   10   45
CONECT   10   46
CONECT   11   12   47
CONECT   12   13   16   48
CONECT   13   14   14   15
CONECT   15   49
CONECT   16   17   21   37
CONECT   17   18   50   51
CONECT   18   19   22   52
CONECT   19   20   53   54
CONECT   20   21   55   56
CONECT   21   57
CONECT   22   23   24   37
CONECT   23   58
CONECT   24   25   59   60
CONECT   25   26
CONECT   26   27   35   61
CONECT   27   28
CONECT   28   29   31   62
CONECT   29   30   63   64
CONECT   30   65
CONECT   31   32   33   66
CONECT   32   67
CONECT   33   34   35   68
CONECT   34   69
CONECT   35   36   70
CONECT   36   71
CONECT   37   72   73
END

HMDB0040647
     RDKit          3D
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside
 73 78  0  0  0  0  0  0  0  0999 V2000
   -5.4720    2.0242    1.3731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0559    0.8082    0.6399 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8394   -0.3860    1.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3746   -0.6342    2.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9121   -1.1811    0.8698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4372   -0.5492   -0.3158 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1694   -0.9770   -1.5398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3082    0.0267   -1.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9912    0.3680   -0.4536 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.9299    1.3458   -0.6933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6696    0.9123    0.0099 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5864    1.1612    1.0320 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3103    2.5749    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4005    3.0531    2.4150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440    3.4723    0.2594 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4533    0.3118    0.6027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8651   -0.4170    1.8004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3796   -1.0049    1.1619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0867   -2.2186    0.3946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631   -2.0748   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9379   -0.6844   -0.3929 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9022    0.0918    0.3126 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7672    0.8878    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -0.2883   -1.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6160   -0.9786   -1.0836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7660   -0.4526   -0.5999 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7135   -0.2562   -1.6369 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8950    0.2305   -1.1590 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0998   -0.5701   -1.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1800   -0.5611   -3.0016 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9914    0.4493    0.3093 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5373    1.7391    0.6730 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090   -0.6157    1.1725 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3555   -1.4954    1.6907 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4318   -1.4329    0.3314 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4597   -2.0193    1.1247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2767    1.0441    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0938    1.9434    2.4270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1251    2.9525    0.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5833    2.0270    1.4583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5651   -1.0076   -2.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6211   -1.9809   -1.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9391    0.8874   -2.3071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0545   -0.5085   -2.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5663   -0.5545   -0.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5812    2.2298   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6370    1.5705   -0.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9941    0.7141    1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5386    3.6343   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5724   -1.2405    2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436    0.2628    2.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0203   -1.3020    2.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -3.0442    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6605   -2.5960   -0.3333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4560   -2.5864   -1.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2247   -2.6787    0.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6512   -0.3566   -1.4328 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    1.7683    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402    0.6363   -1.6462 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6711   -0.9363   -1.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7075    0.5225   -0.1067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0341    1.2461   -1.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0325   -0.0967   -1.2417 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0869   -1.5932   -1.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3271   -0.8887   -3.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0945    0.4884    0.5596 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7886    2.3403   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109   -0.1311    1.9761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8520   -2.3217    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9738   -2.2177   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7953   -2.0841    2.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323    1.1702   -1.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1518    2.0280    0.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 22 37  1  0
  9  2  1  0
 21 16  1  0
 35 26  1  0
 11  2  1  0
 16 37  1  6
 21  6  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  7 41  1  0
  7 42  1  0
  8 43  1  0
  8 44  1  0
  9 45  1  1
 10 46  1  0
 11 47  1  6
 12 48  1  1
 15 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  1
 19 53  1  0
 19 54  1  0
 20 55  1  0
 20 56  1  0
 21 57  1  6
 23 58  1  0
 24 59  1  0
 24 60  1  0
 26 61  1  1
 28 62  1  6
 29 63  1  0
 29 64  1  0
 30 65  1  0
 31 66  1  1
 32 67  1  0
 33 68  1  1
 34 69  1  0
 35 70  1  6
 36 71  1  0
 37 72  1  0
 37 73  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
16,17-Dihydro-16a,17-dihydroxygibberellin a4 17-glucoside	Generator
16,17-Dihydro-16α,17-dihydroxygibberellin a4 17-glucoside	Generator
1b-Methyl-1a,4aalpha-(carbonyloxy)-2b,8a-dihydroxy-8-[(b-D-glucopyranosyloxy)methyl]gibbane-10b-carboxylate	HMDB
1b-Methyl-1a,4aalpha-(carbonyloxy)-2b,8a-dihydroxy-8-[(b-D-glucopyranosyloxy)methyl]gibbane-10b-carboxylic acid	HMDB
1beta-Methyl-1alpha,4aalpha-(carbonyloxy)-2beta,8alpha-dihydroxy-8-[(beta-D-glucopyranosyloxy)methyl]gibbane-10beta-carboxylate	HMDB
1Β-methyl-1α,4aalpha-(carbonyloxy)-2β,8α-dihydroxy-8-[(β-D-glucopyranosyloxy)methyl]gibbane-10β-carboxylate	HMDB
1Β-methyl-1α,4aalpha-(carbonyloxy)-2β,8α-dihydroxy-8-[(β-D-glucopyranosyloxy)methyl]gibbane-10β-carboxylic acid	HMDB
16,17-Dihydro-16alpha,17-dihydroxygibberellin a4 17-O-beta-D-glucopyranoside	HMDB
16,17-Dihydro-16alpha,17-dihydroxygibberellin a4 17-glucopyranoside	HMDB
16,17-Dihydro-16α,17-dihydroxygibberellin a4 17-O-β-D-glucopyranoside	HMDB
16,17-Dihydro-16α,17-dihydroxygibberellin a4 17-glucopyranoside	HMDB
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside	HMDB

Chemical Formula

C₂₅H₃₆O₁₂

Average Molecular Weight

528.551

Monoisotopic Molecular Weight

528.220676599

IUPAC Name

(1R,2R,5R,6R,8R,9S,10R,11S,12S)-6,12-dihydroxy-11-methyl-16-oxo-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylic acid

Traditional Name

CAS Registry Number

159858-83-0

SMILES

[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O

InChI Identifier

InChI=1S/C25H36O12/c1-22-13(27)4-5-25(37-21(22)33)12-3-2-10-6-23(12,14(18(22)25)19(31)32)8-24(10,34)9-35-20-17(30)16(29)15(28)11(7-26)36-20/h10-18,20,26-30,34H,2-9H2,1H3,(H,31,32)/t10-,11-,12-,13+,14-,15-,16+,17-,18-,20-,22-,23-,24+,25-/m1/s1

InChI Key

XKXOQMAKWNRIFD-MHDFSROXSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Diterpene glycosides

Alternative Parents

Substituents

Diterpene glycoside
20-norgibberellane-6-carboxylic acid
20-norgibberellane diterpenoid
Diterpenoid
Diterpene lactone
Gibberellin
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Caprolactone
Oxepane
Gamma butyrolactone
Dicarboxylic acid or derivatives
Monosaccharide
Oxane
Cyclic alcohol
Tetrahydrofuran
Tertiary alcohol
Lactone
Carboxylic acid ester
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organic oxide
Primary alcohol
Carbonyl group
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cell membrane (HMDB: HMDB0040647)

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040647)

Source

Endogenous

Endogenous (HMDB: HMDB0040647)

Plant

Poaceae (HMDB: HMDB0040647)

Animal

Animal (HMDB: HMDB0040647)

Exogenous

Food

Food (HMDB: HMDB0040647)

Cereal and cereal product

Cereal product

Breakfast cereal (FooDB: FOOD00270)

Cereals and cereal products (FooDB: FOOD00858)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0040647)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0040647)

Cellular process

Cell signaling (HMDB: HMDB0040647)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0040647)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0040647)

Nutrient

Nutrient (HMDB: HMDB0040647)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0040647)

Emulsifier (HMDB: HMDB0040647)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	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	8.42 g/L	ALOGPS
logP	-0.97	ALOGPS
logP	-2.2	ChemAxon
logS	-1.8	ALOGPS
pKa (Strongest Acidic)	3.93	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	119.94 m³·mol⁻¹	ChemAxon
Polarizability	52.97 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	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]-	231.447	30932474
DeepCCS	[M+Na]+	205.807	30932474
AllCCS	[M+H]+	216.6	32859911
AllCCS	[M+H-H2O]+	215.3	32859911
AllCCS	[M+NH4]+	217.8	32859911
AllCCS	[M+Na]+	218.1	32859911
AllCCS	[M-H]-	213.3	32859911
AllCCS	[M+Na-2H]-	214.4	32859911
AllCCS	[M+HCOO]-	215.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside	[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O	3702.9	Standard polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside	[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O	4063.1	Standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside	[H][C@@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](C(O)=O)[C@]1([H])[C@@]3(C)[C@@H](O)CC[C@@]21OC3=O	4387.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #1	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	4105.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #2	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C2	4030.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #3	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	4053.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #4	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	4052.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #5	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	4044.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #6	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2	4058.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TMS,isomer #7	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2	4084.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #1	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	4019.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #10	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3953.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #11	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3957.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #12	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3979.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #13	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3953.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #14	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3956.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #15	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3964.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #16	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3984.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #17	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3948.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #18	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3981.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #19	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3974.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #2	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	4000.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #20	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3939.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #21	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2	3978.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #3	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3992.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #4	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	4003.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #5	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	4005.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #6	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3997.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #7	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C2	3960.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #8	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C2	3946.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TMS,isomer #9	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3978.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #1	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3935.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #10	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3956.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #11	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3928.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #12	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3940.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #13	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3919.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #14	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3922.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #15	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3943.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #16	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)C2	3896.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #17	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3927.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #18	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3906.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #19	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3907.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #2	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3944.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #20	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3903.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #21	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3879.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #22	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3885.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #23	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3915.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #24	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3914.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #25	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3918.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #26	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3897.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #27	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3904.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #28	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3902.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #29	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3874.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #3	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3943.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #30	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3868.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #31	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3919.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #32	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3905.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #33	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3928.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #34	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3895.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #35	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3892.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #4	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3946.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #5	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3937.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #6	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3923.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #7	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3916.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #8	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3912.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TMS,isomer #9	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3904.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #1	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3879.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #10	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3904.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #11	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3881.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #12	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3854.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #13	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3865.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #14	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3850.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #15	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3844.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #16	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3870.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #17	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3897.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #18	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3895.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #19	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3899.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #2	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3870.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #20	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3900.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #21	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)C2	3870.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #22	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3851.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #23	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3856.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #24	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3880.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #25	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3877.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #26	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3884.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #27	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3856.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #28	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3851.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #29	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3857.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #3	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3875.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #30	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3903.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #31	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3847.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #32	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3842.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #33	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3885.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #34	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3859.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #35	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3867.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #4	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3866.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #5	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3913.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #6	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3889.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #7	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3900.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #8	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3882.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,4TMS,isomer #9	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3880.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #1	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O)(O[Si](C)(C)C)C2	3850.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #10	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3855.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #11	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3837.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #12	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3829.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #13	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3841.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #14	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3839.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #15	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3893.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #16	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)C2	3818.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #17	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)C2	3813.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #18	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3822.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #19	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3861.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #2	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3829.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #20	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3835.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #21	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)C2	3818.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #3	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3835.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #4	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3821.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #5	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3817.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #6	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O[Si](C)(C)C)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3838.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #7	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O)(O[Si](C)(C)C)C2	3858.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #8	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3856.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,5TMS,isomer #9	C[C@@]12C(=O)O[C@@]3(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)(O[Si](C)(C)C)C2	3863.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@]1(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	4342.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	4249.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O	4272.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O	4259.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@]1(O)C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	4257.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4303.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23OC(=O)[C@@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2	4284.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	4452.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4392.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4411.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O	4421.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4414.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)O[C@@H]1CO	4403.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4392.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O	4407.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4396.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	4413.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23OC(=O)[C@@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)C2	4406.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O	4472.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4397.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4427.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O	4459.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@]1(O[Si](C)(C)C(C)(C)C)C[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O	4455.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23OC(=O)[C@@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)(O[Si](C)(C)C(C)(C)C)C2	4475.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	4480.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	4390.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4403.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4399.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	4597.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O	4609.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)O[Si](C)(C)C(C)(C)C	4582.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	4599.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23OC(=O)[C@@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)C2	4595.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	4577.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	4610.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4540.8	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4540.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4541.1	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4556.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4592.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4536.0	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4532.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4547.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4549.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4552.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4544.6	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4553.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)O[C@@H]1CO	4539.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]23OC(=O)[C@@]1(C)[C@H]2[C@H](C(=O)O)[C@@]12C[C@@H](CC[C@H]13)[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O)C2	4530.4	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4510.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4600.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4519.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	4537.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4542.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](OC[C@@]2(O)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@@H]1O[Si](C)(C)C(C)(C)C	4552.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4528.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H]3C[C@]12C[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4536.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4594.5	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4611.7	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O	4615.2	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1[C@@H]2[C@]3(C)C(=O)O[C@]2(CC[C@@H]3O)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(CO[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	4592.3	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)O[C@@H]1CO	4587.9	Semi standard non polar	33892256
16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@@H](OC[C@@]2(O[Si](C)(C)C(C)(C)C)C[C@]34C[C@H]2CC[C@H]3[C@@]23CC[C@H](O)[C@@](C)(C(=O)O2)[C@H]3[C@@H]4C(=O)O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4579.4	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 - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside GC-MS (TMS_2_18) - 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 - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 10V, Positive-QTOF	splash10-00or-0007090000-ca0c5ac145a1e22561f1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 20V, Positive-QTOF	splash10-0fvi-1019240000-61ee046d2000c0599700	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 40V, Positive-QTOF	splash10-000f-6093200000-d70647e9d6ffd0582cbb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 10V, Negative-QTOF	splash10-004i-0000090000-b7252a893d319156cf29	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 20V, Negative-QTOF	splash10-056r-6206890000-d8aec7cdfb3970fdc85c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside 40V, Negative-QTOF	splash10-0a4i-9014320000-28fc0bb0848f81a333b7	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
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

FDB020440

KNApSAcK ID

Not Available

Chemspider ID

8500108

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10324645

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 16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside (HMDB0040647)

MOL for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

3D MOL for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

3D SDF for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

3D-SDF for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

PDB for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

3D PDB for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

SMILES for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

INCHI for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

Structure for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

3D Structure for HMDB0040647 (16,17-Dihydro-16alpha,17-dihydroxygibberellin A4 17-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra