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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:05:10 UTC

Update Date

2022-03-07 02:55:06 UTC

HMDB ID

HMDB0036903

Secondary Accession Numbers

HMDB36903

Metabolite Identification

Common Name

Gibberellin A38 glucosyl ester

Description

Gibberellin A38 glucosyl ester (A38 glucosyl ester) belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated. Gibberellin A38 glucosyl ester is found in pulses. Gibberellin A38 glucosyl ester is isolated from Phaseolus vulgaris (French bean).

Structure

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


  Mrv1652307302018532D          

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M  END

HMDB0036903
     RDKit          3D
Gibberellin A38 glucosyl ester
 73 78  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652307302018532D          

 39 44  0  0  1  0            999 V2000
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  4  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  2  1  6  0  0  0
  6  2  1  6  0  0  0
  8 10  2  0  0  0  0
  1  9  1  0  0  0  0
  5 11  1  1  0  0  0
  1 12  1  1  0  0  0
 12 13  2  0  0  0  0
 15 17  1  1  0  0  0
 14 15  1  0  0  0  0
 20 21  1  0  0  0  0
 22 21  1  0  0  0  0
 19 22  1  0  0  0  0
 21 23  1  6  0  0  0
 19 24  1  6  0  0  0
 25 24  1  0  0  0  0
 23 25  1  0  0  0  0
 26 24  2  0  0  0  0
 21  5  1  0  0  0  0
 22 18  1  1  0  0  0
 22  1  1  0  0  0  0
 20 14  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
  6 27  1  0  0  0  0
 32 30  1  0  0  0  0
 32 36  1  0  0  0  0
 30 28  1  0  0  0  0
 36 33  1  0  0  0  0
 28 37  1  0  0  0  0
 33 37  1  0  0  0  0
 28 29  1  1  0  0  0
 30 31  1  6  0  0  0
 32 38  1  1  0  0  0
 33 34  1  1  0  0  0
 37 35  1  6  0  0  0
 38 39  1  0  0  0  0
 12 34  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0036903

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2

> <INCHI_IDENTIFIER>
InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1

> <INCHI_KEY>
DDEBJBVQDFATPL-MRSAJBKRSA-N

> <FORMULA>
C26H36O11

> <MOLECULAR_WEIGHT>
524.5574

> <EXACT_MASS>
524.225761994

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
52.77708492530874

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

> <ALOGPS_LOGP>
-1.02

> <JCHEM_LOGP>
-1.688472344666667

> <ALOGPS_LOGS>
-1.98

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.173641348180304

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.193750968016312

> <JCHEM_PKA_STRONGEST_BASIC>
-0.9047391125934444

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
122.75979999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.55e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0036903
     RDKit          3D
Gibberellin A38 glucosyl ester
 73 78  0  0  0  0  0  0  0  0999 V2000
    0.3562    3.5159    2.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721    2.7552    1.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    1.2924    1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    0.9164    0.3716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5147    2.2063   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653    3.1829    0.8299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4889    4.4923    0.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035    2.9211    1.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358    1.6803    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    0.5547    1.1537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0939   -0.7093    0.5690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6725   -1.6449    1.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7040   -3.0782    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -3.5867    0.4761 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4304   -3.6883    1.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679   -2.5837   -0.6281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9229   -3.1783   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318   -2.5439   -1.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651   -3.2920   -2.5297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2588   -1.6846   -1.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -0.4616   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -1.3477    0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9995   -0.2679   -0.5166 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4376   -0.5789   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8246   -1.5381    0.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    0.1275   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -0.2297   -0.9400 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4263    0.8221   -0.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7689    0.6383   -0.1077 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2697    1.8412    0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    1.8359    1.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4261    0.7226   -1.4912 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7928    0.6759   -1.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -0.4189   -2.2943 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3336   -0.2207   -3.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -0.5972   -2.2527 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1649   -1.9738   -2.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951    4.5523    2.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    3.1348    2.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    0.7402    2.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839    1.2425    0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    2.3035   -0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    2.4913   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466    4.7088   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4471    3.8101    1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251    2.7340    2.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866    1.4491    1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934    1.8450    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187    0.3508    2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.3533    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0561   -1.5468    2.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -3.6820    2.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6361   -3.3154    0.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044   -4.5497    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -4.1034    2.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -3.7856   -0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -3.9104   -2.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4291   -2.3760   -1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    0.1465   -1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8992    0.0683   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534   -1.6139    1.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -0.0561   -1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -1.0982   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354   -0.3120    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901    2.7378    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483    1.8383    0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990    0.9102    2.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644    1.7016   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0987    1.5806   -1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -1.3470   -1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385    0.3628   -4.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9533   -0.0852   -3.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -2.1301   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 16 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
  6  2  1  0
 21 11  1  0
 36 27  1  0
 10  4  1  0
 22 11  1  0
 23  4  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  5 43  1  0
  7 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  1
 12 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  6
 15 55  1  0
 17 56  1  0
 17 57  1  0
 17 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  1
 23 62  1  6
 27 63  1  1
 29 64  1  1
 30 65  1  0
 30 66  1  0
 31 67  1  0
 32 68  1  6
 33 69  1  0
 34 70  1  1
 35 71  1  0
 36 72  1  6
 37 73  1  0
M  END

HEADER    PROTEIN                                 30-JUL-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   30-JUL-20         0                                  
HETATM    1  C   UNK     0       0.262  -1.043   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       3.725   1.247   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.157   0.195   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.203   0.815   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0      -0.214  -0.007   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0       0.739  -2.507   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.246  -2.826   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -3.869   0.972   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.869  -0.567   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.549  -2.881   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -5.203  -1.333   0.000  0.00  0.00           O+0
HETATM   18  H   UNK     0      -1.200  -2.100   0.000  0.00  0.00           H+0
HETATM   19  C   UNK     0      -2.536  -1.348   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.536   1.743   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.206   0.966   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.206  -0.571   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.218   2.819   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -3.241   0.207   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.256   2.822   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -2.063   0.298   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.732   3.653   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       1.044  -7.502   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       2.377  -8.272   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -0.290  -8.272   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.290  -9.812   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.623  -7.502   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -0.290  -5.192   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -0.290  -3.653   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.377  -5.193   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      -1.623  -5.962   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.044  -5.962   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -2.957  -8.272   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      -2.957  -9.812   0.000  0.00  0.00           O+0
CONECT    1    9   12   22                                                  
CONECT    2    9    6                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    9   11   21                                             
CONECT    6    4    8    2   27                                             
CONECT    7    8    9                                                       
CONECT    8    6    7   10                                                  
CONECT    9    5    7    2    1                                             
CONECT   10    8                                                            
CONECT   11    5                                                            
CONECT   12    1   13   34                                                  
CONECT   13   12                                                            
CONECT   14   15   20                                                       
CONECT   15   17   14   19                                                  
CONECT   16   19                                                            
CONECT   17   15                                                            
CONECT   18   22                                                            
CONECT   19   22   24   15   16                                             
CONECT   20   21   14                                                       
CONECT   21   20   22   23    5                                             
CONECT   22   21   19   18    1                                             
CONECT   23   21   25                                                       
CONECT   24   19   25   26                                                  
CONECT   25   24   23                                                       
CONECT   26   24                                                            
CONECT   27    6                                                            
CONECT   28   30   37   29                                                  
CONECT   29   28                                                            
CONECT   30   32   28   31                                                  
CONECT   31   30                                                            
CONECT   32   30   36   38                                                  
CONECT   33   36   37   34                                                  
CONECT   34   33   12                                                       
CONECT   35   37                                                            
CONECT   36   32   33                                                       
CONECT   37   28   33   35                                                  
CONECT   38   32   39                                                       
CONECT   39   38                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   88    0
END

COMPND    HMDB0036903
HETATM    1  C1  UNL     1       0.356   3.516   2.390  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.372   2.755   1.601  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.171   1.292   1.297  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.291   0.916   0.372  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.515   2.206  -0.353  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.565   3.183   0.830  1.00  0.00           C  
HETATM    7  O1  UNL     1      -1.489   4.492   0.405  1.00  0.00           O  
HETATM    8  C7  UNL     1      -2.804   2.921   1.666  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.536   1.680   1.200  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.548   0.555   1.154  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.094  -0.709   0.569  1.00  0.00           C  
HETATM   12  C11 UNL     1      -3.673  -1.645   1.577  1.00  0.00           C  
HETATM   13  C12 UNL     1      -3.704  -3.078   1.200  1.00  0.00           C  
HETATM   14  C13 UNL     1      -2.486  -3.587   0.476  1.00  0.00           C  
HETATM   15  O2  UNL     1      -1.430  -3.688   1.381  1.00  0.00           O  
HETATM   16  C14 UNL     1      -2.068  -2.584  -0.628  1.00  0.00           C  
HETATM   17  C15 UNL     1      -0.923  -3.178  -1.384  1.00  0.00           C  
HETATM   18  C16 UNL     1      -3.232  -2.544  -1.533  1.00  0.00           C  
HETATM   19  O3  UNL     1      -3.265  -3.292  -2.530  1.00  0.00           O  
HETATM   20  O4  UNL     1      -4.259  -1.685  -1.264  1.00  0.00           O  
HETATM   21  C17 UNL     1      -3.978  -0.462  -0.625  1.00  0.00           C  
HETATM   22  C18 UNL     1      -1.777  -1.348   0.114  1.00  0.00           C  
HETATM   23  C19 UNL     1      -1.000  -0.268  -0.517  1.00  0.00           C  
HETATM   24  C20 UNL     1       0.438  -0.579  -0.421  1.00  0.00           C  
HETATM   25  O5  UNL     1       0.825  -1.538   0.299  1.00  0.00           O  
HETATM   26  O6  UNL     1       1.431   0.127  -1.083  1.00  0.00           O  
HETATM   27  C21 UNL     1       2.789  -0.230  -0.940  1.00  0.00           C  
HETATM   28  O7  UNL     1       3.426   0.822  -0.304  1.00  0.00           O  
HETATM   29  C22 UNL     1       4.769   0.638  -0.108  1.00  0.00           C  
HETATM   30  C23 UNL     1       5.270   1.841   0.684  1.00  0.00           C  
HETATM   31  O8  UNL     1       4.550   1.836   1.885  1.00  0.00           O  
HETATM   32  C24 UNL     1       5.426   0.723  -1.491  1.00  0.00           C  
HETATM   33  O9  UNL     1       6.793   0.676  -1.400  1.00  0.00           O  
HETATM   34  C25 UNL     1       4.900  -0.419  -2.294  1.00  0.00           C  
HETATM   35  O10 UNL     1       5.334  -0.221  -3.626  1.00  0.00           O  
HETATM   36  C26 UNL     1       3.426  -0.597  -2.253  1.00  0.00           C  
HETATM   37  O11 UNL     1       3.165  -1.974  -2.446  1.00  0.00           O  
HETATM   38  H1  UNL     1       0.095   4.552   2.515  1.00  0.00           H  
HETATM   39  H2  UNL     1       1.213   3.135   2.920  1.00  0.00           H  
HETATM   40  H3  UNL     1      -0.195   0.740   2.255  1.00  0.00           H  
HETATM   41  H4  UNL     1       0.784   1.243   0.773  1.00  0.00           H  
HETATM   42  H5  UNL     1      -2.465   2.303  -0.868  1.00  0.00           H  
HETATM   43  H6  UNL     1      -0.683   2.491  -1.007  1.00  0.00           H  
HETATM   44  H7  UNL     1      -2.347   4.709  -0.037  1.00  0.00           H  
HETATM   45  H8  UNL     1      -3.447   3.810   1.617  1.00  0.00           H  
HETATM   46  H9  UNL     1      -2.525   2.734   2.733  1.00  0.00           H  
HETATM   47  H10 UNL     1      -4.287   1.449   1.985  1.00  0.00           H  
HETATM   48  H11 UNL     1      -4.093   1.845   0.269  1.00  0.00           H  
HETATM   49  H12 UNL     1      -2.219   0.351   2.192  1.00  0.00           H  
HETATM   50  H13 UNL     1      -4.703  -1.353   1.885  1.00  0.00           H  
HETATM   51  H14 UNL     1      -3.056  -1.547   2.508  1.00  0.00           H  
HETATM   52  H15 UNL     1      -3.797  -3.682   2.134  1.00  0.00           H  
HETATM   53  H16 UNL     1      -4.636  -3.315   0.615  1.00  0.00           H  
HETATM   54  H17 UNL     1      -2.704  -4.550   0.017  1.00  0.00           H  
HETATM   55  H18 UNL     1      -1.834  -4.103   2.207  1.00  0.00           H  
HETATM   56  H19 UNL     1      -0.226  -3.786  -0.798  1.00  0.00           H  
HETATM   57  H20 UNL     1      -1.370  -3.910  -2.124  1.00  0.00           H  
HETATM   58  H21 UNL     1      -0.429  -2.376  -1.968  1.00  0.00           H  
HETATM   59  H22 UNL     1      -3.393   0.146  -1.346  1.00  0.00           H  
HETATM   60  H23 UNL     1      -4.899   0.068  -0.305  1.00  0.00           H  
HETATM   61  H24 UNL     1      -1.253  -1.614   1.080  1.00  0.00           H  
HETATM   62  H25 UNL     1      -1.302  -0.056  -1.575  1.00  0.00           H  
HETATM   63  H26 UNL     1       2.839  -1.098  -0.257  1.00  0.00           H  
HETATM   64  H27 UNL     1       5.035  -0.312   0.383  1.00  0.00           H  
HETATM   65  H28 UNL     1       4.890   2.738   0.117  1.00  0.00           H  
HETATM   66  H29 UNL     1       6.348   1.838   0.819  1.00  0.00           H  
HETATM   67  H30 UNL     1       4.499   0.910   2.261  1.00  0.00           H  
HETATM   68  H31 UNL     1       5.064   1.702  -1.913  1.00  0.00           H  
HETATM   69  H32 UNL     1       7.099   1.581  -1.097  1.00  0.00           H  
HETATM   70  H33 UNL     1       5.428  -1.347  -1.953  1.00  0.00           H  
HETATM   71  H34 UNL     1       4.638   0.363  -4.050  1.00  0.00           H  
HETATM   72  H35 UNL     1       2.953  -0.085  -3.101  1.00  0.00           H  
HETATM   73  H36 UNL     1       2.257  -2.130  -2.787  1.00  0.00           H  
CONECT    1    2    2   38   39
CONECT    2    3    6
CONECT    3    4   40   41
CONECT    4    5   10   23
CONECT    5    6   42   43
CONECT    6    7    8
CONECT    7   44
CONECT    8    9   45   46
CONECT    9   10   47   48
CONECT   10   11   49
CONECT   11   12   21   22
CONECT   12   13   50   51
CONECT   13   14   52   53
CONECT   14   15   16   54
CONECT   15   55
CONECT   16   17   18   22
CONECT   17   56   57   58
CONECT   18   19   19   20
CONECT   20   21
CONECT   21   59   60
CONECT   22   23   61
CONECT   23   24   62
CONECT   24   25   25   26
CONECT   26   27
CONECT   27   28   36   63
CONECT   28   29
CONECT   29   30   32   64
CONECT   30   31   65   66
CONECT   31   67
CONECT   32   33   34   68
CONECT   33   69
CONECT   34   35   36   70
CONECT   35   71
CONECT   36   37   72
CONECT   37   73
END

HMDB0036903
     RDKit          3D
Gibberellin A38 glucosyl ester
 73 78  0  0  0  0  0  0  0  0999 V2000
    0.3562    3.5159    2.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3721    2.7552    1.6008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    1.2924    1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2906    0.9164    0.3716 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5147    2.2063   -0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5653    3.1829    0.8299 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4889    4.4923    0.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8035    2.9211    1.6664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5358    1.6803    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5480    0.5547    1.1537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0939   -0.7093    0.5690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6725   -1.6449    1.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7040   -3.0782    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4865   -3.5867    0.4761 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4304   -3.6883    1.3806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0679   -2.5837   -0.6281 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9229   -3.1783   -1.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2318   -2.5439   -1.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2651   -3.2920   -2.5297 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2588   -1.6846   -1.2640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9776   -0.4616   -0.6245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7768   -1.3477    0.1145 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9995   -0.2679   -0.5166 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4376   -0.5789   -0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8246   -1.5381    0.2986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    0.1275   -1.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889   -0.2297   -0.9400 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4263    0.8221   -0.3040 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7689    0.6383   -0.1077 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2697    1.8412    0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5500    1.8359    1.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4261    0.7226   -1.4912 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7928    0.6759   -1.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9003   -0.4189   -2.2943 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3336   -0.2207   -3.6259 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4264   -0.5972   -2.2527 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1649   -1.9738   -2.4462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0951    4.5523    2.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    3.1348    2.9201 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1945    0.7402    2.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839    1.2425    0.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4654    2.3035   -0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6830    2.4913   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3466    4.7088   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4471    3.8101    1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5251    2.7340    2.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2866    1.4491    1.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0934    1.8450    0.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2187    0.3508    2.1922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7027   -1.3533    1.8850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0561   -1.5468    2.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7965   -3.6820    2.1342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6361   -3.3154    0.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7044   -4.5497    0.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8343   -4.1034    2.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2260   -3.7856   -0.7978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -3.9104   -2.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4291   -2.3760   -1.9684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3929    0.1465   -1.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8992    0.0683   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534   -1.6139    1.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3020   -0.0561   -1.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8389   -1.0982   -0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0354   -0.3120    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8901    2.7378    0.1166 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3483    1.8383    0.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4990    0.9102    2.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0644    1.7016   -1.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0987    1.5806   -1.0966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4282   -1.3470   -1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6385    0.3628   -4.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9533   -0.0852   -3.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2569   -2.1301   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 16 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
  6  2  1  0
 21 11  1  0
 36 27  1  0
 10  4  1  0
 22 11  1  0
 23  4  1  0
  1 38  1  0
  1 39  1  0
  3 40  1  0
  3 41  1  0
  5 42  1  0
  5 43  1  0
  7 44  1  0
  8 45  1  0
  8 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  1
 12 50  1  0
 12 51  1  0
 13 52  1  0
 13 53  1  0
 14 54  1  6
 15 55  1  0
 17 56  1  0
 17 57  1  0
 17 58  1  0
 21 59  1  0
 21 60  1  0
 22 61  1  1
 23 62  1  6
 27 63  1  1
 29 64  1  1
 30 65  1  0
 30 66  1  0
 31 67  1  0
 32 68  1  6
 33 69  1  0
 34 70  1  1
 35 71  1  0
 36 72  1  6
 37 73  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
GA38 glucosyl ester	HMDB
Gibberellin A38 glucosyl ester	HMDB

Chemical Formula

C₂₆H₃₆O₁₁

Average Molecular Weight

524.5574

Monoisotopic Molecular Weight

524.225761994

IUPAC Name

(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (1R,2R,5S,8S,9S,10S,11S,17S)-5,17-dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.1^{5,8}.0^{1,10}.0^{2,8}]octadecane-9-carboxylate

Traditional Name

CAS Registry Number

36702-73-5

SMILES

[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2

InChI Identifier

InChI=1S/C26H36O11/c1-11-7-25-9-26(11,34)6-3-13(25)24-5-4-14(28)23(2,22(33)35-10-24)19(24)15(25)20(32)37-21-18(31)17(30)16(29)12(8-27)36-21/h12-19,21,27-31,34H,1,3-10H2,2H3/t12-,13+,14+,15-,16-,17+,18-,19-,21+,23-,24-,25+,26+/m1/s1

InChI Key

DDEBJBVQDFATPL-MRSAJBKRSA-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 diterpenoid
Diterpene lactone
Diterpenoid
Gibberellin
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Hexose monosaccharide
Delta valerolactone
Delta_valerolactone
Oxane
Monosaccharide
Dicarboxylic acid or derivatives
Fatty acyl
Cyclic alcohol
Tertiary alcohol
Carboxylic acid ester
Lactone
Secondary alcohol
Polyol
Carboxylic acid derivative
Acetal
Organoheterocyclic compound
Oxacycle
Alcohol
Organooxygen compound
Primary alcohol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Yellow wax bean (FooDB: FOOD00882)
Green bean (FooDB: FOOD00883)

Pulses (FooDB: FOOD00867)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	259 - 261 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	5.55 g/L	ALOGPS
logP	-1	ALOGPS
logP	-1.7	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	12.19	ChemAxon
pKa (Strongest Basic)	-0.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	183.21 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	122.76 m³·mol⁻¹	ChemAxon
Polarizability	52.78 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]-	236.998	30932474
DeepCCS	[M+Na]+	210.819	30932474
AllCCS	[M+H]+	216.7	32859911
AllCCS	[M+H-H2O]+	215.3	32859911
AllCCS	[M+NH4]+	218.0	32859911
AllCCS	[M+Na]+	218.3	32859911
AllCCS	[M-H]-	212.8	32859911
AllCCS	[M+Na-2H]-	213.9	32859911
AllCCS	[M+HCOO]-	215.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gibberellin A38 glucosyl ester	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2	3432.7	Standard polar	33892256
Gibberellin A38 glucosyl ester	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2	3909.1	Standard non polar	33892256
Gibberellin A38 glucosyl ester	[H][C@@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1([H])[C@@]22CC[C@H](O)[C@@]1(C)C(=O)OC2	4432.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gibberellin A38 glucosyl ester,1TMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3951.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TMS,isomer #2	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3844.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TMS,isomer #3	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3851.7	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TMS,isomer #4	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3872.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TMS,isomer #5	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3841.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TMS,isomer #6	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3907.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3877.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #10	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3815.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #11	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3774.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #12	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3766.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #13	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3829.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #14	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3798.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #15	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3808.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3822.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3835.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3855.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3830.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #6	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3809.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #7	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3786.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #8	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3784.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TMS,isomer #9	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3769.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3774.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #10	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3782.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #11	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3760.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #12	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3755.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #13	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3751.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #14	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3737.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #15	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3734.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #16	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3739.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #17	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3757.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #18	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3748.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #19	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3737.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3780.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #20	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3776.7	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3808.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3783.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3760.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #6	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3756.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #7	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3754.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #8	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3761.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TMS,isomer #9	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3749.7	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3733.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #10	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3747.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #11	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3723.7	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #12	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3711.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #13	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3727.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #14	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3723.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #15	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3732.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3727.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3731.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3747.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3733.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #6	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3762.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #7	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3730.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #8	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3720.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,4TMS,isomer #9	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3736.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3709.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3692.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3714.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3723.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3718.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,5TMS,isomer #6	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	3699.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4149.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #2	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4072.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #3	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4077.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #4	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4087.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #5	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4064.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,1TBDMS,isomer #6	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4106.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4295.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #10	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4243.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #11	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4202.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #12	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4195.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #13	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4249.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #14	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4214.5	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #15	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4233.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4268.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4270.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4283.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4261.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #6	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4242.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #7	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4230.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #8	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4227.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,2TBDMS,isomer #9	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4218.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #1	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4428.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #10	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4417.9	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #11	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4396.6	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #12	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4402.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #13	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4386.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #14	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4380.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #15	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4377.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #16	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4380.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #17	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4376.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #18	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4369.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #19	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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[Si](C)(C)C(C)(C)C	4355.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #2	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4428.8	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #20	C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4389.0	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #3	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4441.1	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #4	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4420.4	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #5	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4424.7	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #6	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4430.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #7	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4417.2	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #8	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4404.3	Semi standard non polar	33892256
Gibberellin A38 glucosyl ester,3TBDMS,isomer #9	C=C1C[C@]23C[C@@]1(O[Si](C)(C)C(C)(C)C)CC[C@H]2[C@@]12CC[C@H](O)[C@@](C)(C(=O)OC1)[C@H]2[C@@H]3C(=O)O[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	4397.6	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 - Gibberellin A38 glucosyl ester GC-MS (TBDMS_2_14) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gibberellin A38 glucosyl ester GC-MS (TBDMS_3_10) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gibberellin A38 glucosyl ester GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gibberellin A38 glucosyl ester GC-MS (TBDMS_3_19) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gibberellin A38 glucosyl ester GC-MS (TBDMS_3_20) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Gibberellin A38 glucosyl ester GC-MS ("Gibberellin A38 glucosyl ester,2TBDMS,#14" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - Gibberellin A38 glucosyl ester 10V, Negative-QTOF	splash10-00di-0100090000-2136ed11f72f8941e046	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A38 glucosyl ester 20V, Negative-QTOF	splash10-00di-5005790000-e6f9460812c6dfe19198	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A38 glucosyl ester 40V, Negative-QTOF	splash10-052f-9102200000-165a5262d108e4d3fea0	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A38 glucosyl ester 10V, Positive-QTOF	splash10-004i-0001090000-fde00c3299fd927b5f45	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A38 glucosyl ester 20V, Positive-QTOF	splash10-004i-0009470000-6bb91ec0ad0f714e1447	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A38 glucosyl ester 40V, Positive-QTOF	splash10-0a6s-6306940000-24a308134785f60a1663	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB015866

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101288418

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 Gibberellin A38 glucosyl ester (HMDB0036903)

MOL for HMDB0036903 (Gibberellin A38 glucosyl ester)

3D MOL for HMDB0036903 (Gibberellin A38 glucosyl ester)

3D SDF for HMDB0036903 (Gibberellin A38 glucosyl ester)

3D-SDF for HMDB0036903 (Gibberellin A38 glucosyl ester)

PDB for HMDB0036903 (Gibberellin A38 glucosyl ester)

3D PDB for HMDB0036903 (Gibberellin A38 glucosyl ester)

SMILES for HMDB0036903 (Gibberellin A38 glucosyl ester)

INCHI for HMDB0036903 (Gibberellin A38 glucosyl ester)

Structure for HMDB0036903 (Gibberellin A38 glucosyl ester)

3D Structure for HMDB0036903 (Gibberellin A38 glucosyl ester)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra