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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 23:56:15 UTC

Update Date

2022-03-07 02:55:50 UTC

HMDB ID

HMDB0038609

Secondary Accession Numbers

HMDB38609

Metabolite Identification

Common Name

Gibberellin A1 glucosyl ester

Description

Gibberellin A1 glucosyl ester (GA1 glucosyl ester) belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Gibberellin A1 glucosyl ester is found in pulses. Gibberellin A1 glucosyl ester is a constituent of the seeds of Phaseolus vulgaris (kidney bean).

Structure

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

  Mrv1652307292023442D          

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  6 38  1  0  0  0  0
  9 31  1  0  0  0  0
M  END

HMDB0038609
     RDKit          3D
Gibberellin A1 glucosyl ester
 70 75  0  0  0  0  0  0  0  0999 V2000
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M  END

  Mrv1652307292023442D          

 38 43  0  0  1  0            999 V2000
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 21 22  1  0  0  0  0
 22 11  1  6  0  0  0
 22  5  1  0  0  0  0
 21 15  1  1  0  0  0
 21  1  1  0  0  0  0
 20 13  1  0  0  0  0
 20 12  1  6  0  0  0
 19 23  1  1  0  0  0
  6 24  1  0  0  0  0
  7 24  1  0  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
 24 37  2  0  0  0  0
  6 38  1  0  0  0  0
  9 31  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038609

> <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@@]3(C)[C@@H](O)CC[C@@]21OC3=O

> <INCHI_IDENTIFIER>
InChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(27)22(2,21(32)36-25)18(25)14(23)19(31)35-20-17(30)16(29)15(28)11(8-26)34-20/h11-18,20,26-30,33H,1,3-9H2,2H3/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1

> <INCHI_KEY>
YNUHPGJFLBSPMR-HRHVLVCKSA-N

> <FORMULA>
C25H34O11

> <MOLECULAR_WEIGHT>
510.5309

> <EXACT_MASS>
510.21011193

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
70

> <JCHEM_AVERAGE_POLARIZABILITY>
51.24088107274048

> <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,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylate

> <ALOGPS_LOGP>
-1.05

> <JCHEM_LOGP>
-1.8670480730000003

> <ALOGPS_LOGS>
-1.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.173257870417391

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.193705794965876

> <JCHEM_PKA_STRONGEST_BASIC>
-0.904784152979622

> <JCHEM_POLAR_SURFACE_AREA>
183.20999999999998

> <JCHEM_REFRACTIVITY>
118.03809999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.89e+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,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1^{5,8}.0^{1,10}.0^{2,8}]heptadecane-9-carboxylate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0038609
     RDKit          3D
Gibberellin A1 glucosyl ester
 70 75  0  0  0  0  0  0  0  0999 V2000
   -3.7613   -3.7723   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -3.1286   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -2.0493   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -1.2752    0.5393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2613   -2.3699    1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987   -3.2793    1.3689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2168   -4.5764    1.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5327   -2.6294    2.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092   -1.1118    2.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -0.6545    0.9729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9049    0.8026    0.7609 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0920    1.4050    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8076    2.9158    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773    3.2041   -0.5491 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5266    3.0380   -1.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    2.3547    0.0594 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0443    2.8661   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284    2.4765    1.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074    3.2874    2.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    1.5300    1.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680    0.9240   -0.1660 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8018   -0.0942    0.4714 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5066   -0.3793   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -1.5315   -0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    0.4433   -0.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549    0.1271   -0.6947 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7641    0.1785    0.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512   -0.4383    0.0771 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0415    0.2386    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868   -0.3157    0.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2664   -0.5214   -1.3730 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9426   -1.7958   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7052    0.5781   -2.2083 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6347    1.6001   -2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    1.0717   -1.7340 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4849    1.1899   -2.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -3.5778   -1.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3916   -4.5478   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -2.6070   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -1.4339   -1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -2.8898    0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -2.0497    2.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -4.7597    1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -2.7783    1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   -3.1092    3.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854   -0.6579    2.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751   -0.8350    3.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8733   -1.0169    0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9858    1.1981    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014    1.0156   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725    3.4652   -0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270    3.2049    1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2147    4.2571   -0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    3.5540   -2.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    3.9692   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    2.9157    0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    2.4232   -1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    0.6822   -1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.2385    1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9363   -0.9006   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -1.4906    0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9957    1.3251    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7329    0.1134    1.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    0.2488    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907   -0.4662   -1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847   -2.4195   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659    0.1602   -3.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132    2.4028   -1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    2.0823   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    1.9745   -3.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 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
  6  2  1  0
 11 20  1  1
 35 26  1  0
 10  4  1  0
 21 11  1  0
 22  4  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  6
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  6
 15 54  1  0
 17 55  1  0
 17 56  1  0
 17 57  1  0
 21 58  1  6
 22 59  1  1
 26 60  1  6
 28 61  1  1
 29 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  1
 32 66  1  0
 33 67  1  6
 34 68  1  0
 35 69  1  1
 36 70  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      -1.201   2.506   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.366  -0.134   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -2.550  -2.881   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.237   0.043   0.000  0.00  0.00           O+0
HETATM   15  H   UNK     0      -1.201  -2.101   0.000  0.00  0.00           H+0
HETATM   16  H   UNK     0      -0.214  -0.007   0.000  0.00  0.00           H+0
HETATM   17  C   UNK     0      -2.538   1.739   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.871   0.969   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.871  -0.571   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -2.538  -1.340   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.204  -0.571   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.204   0.969   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -5.205  -1.341   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       3.725   1.247   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.044  -7.503   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       2.377  -8.273   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -0.290  -8.273   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -0.290  -9.813   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.623  -7.503   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.290  -5.193   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -0.290  -3.653   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.377  -5.193   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -1.623  -5.963   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       1.044  -5.963   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -2.957  -8.273   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -2.957  -9.813   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       5.204   0.816   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       4.733   3.653   0.000  0.00  0.00           O+0
CONECT    1    8    9   21                                                  
CONECT    2    8    6                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3    8   16   22                                             
CONECT    6    4    2   24   38                                             
CONECT    7    8   24                                                       
CONECT    8    5    7    2    1                                             
CONECT    9    1   10   31                                                  
CONECT   10    9                                                            
CONECT   11   12   22                                                       
CONECT   12   11   14   20                                                  
CONECT   13   20                                                            
CONECT   14   12                                                            
CONECT   15   21                                                            
CONECT   16    5                                                            
CONECT   17   18   22                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   23                                                  
CONECT   20   19   21   13   12                                             
CONECT   21   20   22   15    1                                             
CONECT   22   17   21   11    5                                             
CONECT   23   19                                                            
CONECT   24    6    7   37                                                  
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    9                                                       
CONECT   32   34                                                            
CONECT   33   29   30                                                       
CONECT   34   25   30   32                                                  
CONECT   35   29   36                                                       
CONECT   36   35                                                            
CONECT   37   24                                                            
CONECT   38    6                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   86    0
END

COMPND    HMDB0038609
HETATM    1  C1  UNL     1      -3.761  -3.772  -0.779  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.858  -3.129  -0.082  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.972  -2.049  -0.690  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.709  -1.275   0.539  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.261  -2.370   1.479  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.499  -3.279   1.369  1.00  0.00           C  
HETATM    7  O1  UNL     1      -2.217  -4.576   1.716  1.00  0.00           O  
HETATM    8  C7  UNL     1      -3.533  -2.629   2.277  1.00  0.00           C  
HETATM    9  C8  UNL     1      -3.309  -1.112   2.368  1.00  0.00           C  
HETATM   10  C9  UNL     1      -3.016  -0.654   0.973  1.00  0.00           C  
HETATM   11  C10 UNL     1      -2.905   0.803   0.761  1.00  0.00           C  
HETATM   12  C11 UNL     1      -4.092   1.405   0.048  1.00  0.00           C  
HETATM   13  C12 UNL     1      -3.808   2.916   0.061  1.00  0.00           C  
HETATM   14  C13 UNL     1      -2.477   3.204  -0.549  1.00  0.00           C  
HETATM   15  O2  UNL     1      -2.527   3.038  -1.929  1.00  0.00           O  
HETATM   16  C14 UNL     1      -1.358   2.355   0.059  1.00  0.00           C  
HETATM   17  C15 UNL     1      -0.044   2.866  -0.417  1.00  0.00           C  
HETATM   18  C16 UNL     1      -1.528   2.477   1.534  1.00  0.00           C  
HETATM   19  O3  UNL     1      -0.907   3.287   2.255  1.00  0.00           O  
HETATM   20  O4  UNL     1      -2.482   1.530   1.877  1.00  0.00           O  
HETATM   21  C17 UNL     1      -1.668   0.924  -0.166  1.00  0.00           C  
HETATM   22  C18 UNL     1      -0.802  -0.094   0.471  1.00  0.00           C  
HETATM   23  C19 UNL     1       0.507  -0.379  -0.079  1.00  0.00           C  
HETATM   24  O5  UNL     1       0.776  -1.532  -0.590  1.00  0.00           O  
HETATM   25  O6  UNL     1       1.614   0.443  -0.157  1.00  0.00           O  
HETATM   26  C20 UNL     1       2.855   0.127  -0.695  1.00  0.00           C  
HETATM   27  O7  UNL     1       3.764   0.179   0.385  1.00  0.00           O  
HETATM   28  C21 UNL     1       4.951  -0.438   0.077  1.00  0.00           C  
HETATM   29  C22 UNL     1       6.042   0.239   0.889  1.00  0.00           C  
HETATM   30  O8  UNL     1       7.287  -0.316   0.648  1.00  0.00           O  
HETATM   31  C23 UNL     1       5.266  -0.521  -1.373  1.00  0.00           C  
HETATM   32  O9  UNL     1       4.943  -1.796  -1.895  1.00  0.00           O  
HETATM   33  C24 UNL     1       4.705   0.578  -2.208  1.00  0.00           C  
HETATM   34  O10 UNL     1       5.635   1.600  -2.339  1.00  0.00           O  
HETATM   35  C25 UNL     1       3.357   1.072  -1.734  1.00  0.00           C  
HETATM   36  O11 UNL     1       2.485   1.190  -2.799  1.00  0.00           O  
HETATM   37  H1  UNL     1      -3.935  -3.578  -1.830  1.00  0.00           H  
HETATM   38  H2  UNL     1      -4.392  -4.548  -0.325  1.00  0.00           H  
HETATM   39  H3  UNL     1      -1.159  -2.607  -1.140  1.00  0.00           H  
HETATM   40  H4  UNL     1      -2.566  -1.434  -1.398  1.00  0.00           H  
HETATM   41  H5  UNL     1      -0.415  -2.890   0.987  1.00  0.00           H  
HETATM   42  H6  UNL     1      -1.065  -2.050   2.497  1.00  0.00           H  
HETATM   43  H7  UNL     1      -1.277  -4.760   1.462  1.00  0.00           H  
HETATM   44  H8  UNL     1      -4.532  -2.778   1.867  1.00  0.00           H  
HETATM   45  H9  UNL     1      -3.464  -3.109   3.263  1.00  0.00           H  
HETATM   46  H10 UNL     1      -4.285  -0.658   2.667  1.00  0.00           H  
HETATM   47  H11 UNL     1      -2.575  -0.835   3.122  1.00  0.00           H  
HETATM   48  H12 UNL     1      -3.873  -1.017   0.351  1.00  0.00           H  
HETATM   49  H13 UNL     1      -4.986   1.198   0.635  1.00  0.00           H  
HETATM   50  H14 UNL     1      -4.101   1.016  -0.979  1.00  0.00           H  
HETATM   51  H15 UNL     1      -4.573   3.465  -0.501  1.00  0.00           H  
HETATM   52  H16 UNL     1      -3.827   3.205   1.132  1.00  0.00           H  
HETATM   53  H17 UNL     1      -2.215   4.257  -0.311  1.00  0.00           H  
HETATM   54  H18 UNL     1      -3.297   3.554  -2.254  1.00  0.00           H  
HETATM   55  H19 UNL     1      -0.213   3.969  -0.677  1.00  0.00           H  
HETATM   56  H20 UNL     1       0.746   2.916   0.345  1.00  0.00           H  
HETATM   57  H21 UNL     1       0.275   2.423  -1.361  1.00  0.00           H  
HETATM   58  H22 UNL     1      -1.965   0.682  -1.208  1.00  0.00           H  
HETATM   59  H23 UNL     1      -0.679   0.238   1.549  1.00  0.00           H  
HETATM   60  H24 UNL     1       2.936  -0.901  -1.097  1.00  0.00           H  
HETATM   61  H25 UNL     1       4.881  -1.491   0.479  1.00  0.00           H  
HETATM   62  H26 UNL     1       5.996   1.325   0.673  1.00  0.00           H  
HETATM   63  H27 UNL     1       5.733   0.113   1.964  1.00  0.00           H  
HETATM   64  H28 UNL     1       7.956   0.249   1.077  1.00  0.00           H  
HETATM   65  H29 UNL     1       6.391  -0.466  -1.472  1.00  0.00           H  
HETATM   66  H30 UNL     1       4.885  -2.419  -1.124  1.00  0.00           H  
HETATM   67  H31 UNL     1       4.566   0.160  -3.249  1.00  0.00           H  
HETATM   68  H32 UNL     1       5.413   2.403  -1.817  1.00  0.00           H  
HETATM   69  H33 UNL     1       3.523   2.082  -1.279  1.00  0.00           H  
HETATM   70  H34 UNL     1       2.639   1.975  -3.357  1.00  0.00           H  
CONECT    1    2    2   37   38
CONECT    2    3    6
CONECT    3    4   39   40
CONECT    4    5   10   22
CONECT    5    6   41   42
CONECT    6    7    8
CONECT    7   43
CONECT    8    9   44   45
CONECT    9   10   46   47
CONECT   10   11   48
CONECT   11   12   20   21
CONECT   12   13   49   50
CONECT   13   14   51   52
CONECT   14   15   16   53
CONECT   15   54
CONECT   16   17   18   21
CONECT   17   55   56   57
CONECT   18   19   19   20
CONECT   21   22   58
CONECT   22   23   59
CONECT   23   24   24   25
CONECT   25   26
CONECT   26   27   35   60
CONECT   27   28
CONECT   28   29   31   61
CONECT   29   30   62   63
CONECT   30   64
CONECT   31   32   33   65
CONECT   32   66
CONECT   33   34   35   67
CONECT   34   68
CONECT   35   36   69
CONECT   36   70
END

HMDB0038609
     RDKit          3D
Gibberellin A1 glucosyl ester
 70 75  0  0  0  0  0  0  0  0999 V2000
   -3.7613   -3.7723   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580   -3.1286   -0.0817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9722   -2.0493   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -1.2752    0.5393 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2613   -2.3699    1.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4987   -3.2793    1.3689 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.2168   -4.5764    1.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5327   -2.6294    2.2775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3092   -1.1118    2.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161   -0.6545    0.9729 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9049    0.8026    0.7609 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0920    1.4050    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8076    2.9158    0.0609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4773    3.2041   -0.5491 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5266    3.0380   -1.9290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3579    2.3547    0.0594 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0443    2.8661   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284    2.4765    1.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9074    3.2874    2.2552 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    1.5300    1.8767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6680    0.9240   -0.1660 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8018   -0.0942    0.4714 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5066   -0.3793   -0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7759   -1.5315   -0.5900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141    0.4433   -0.1569 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8549    0.1271   -0.6947 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7641    0.1785    0.3851 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9512   -0.4383    0.0771 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0415    0.2386    0.8894 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868   -0.3157    0.6481 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2664   -0.5214   -1.3730 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9426   -1.7958   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7052    0.5781   -2.2083 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6347    1.6001   -2.3389 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3568    1.0717   -1.7340 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4849    1.1899   -2.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9345   -3.5778   -1.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3916   -4.5478   -0.3251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1591   -2.6070   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5658   -1.4339   -1.3977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4150   -2.8898    0.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0654   -2.0497    2.4968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -4.7597    1.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5320   -2.7783    1.8666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4640   -3.1092    3.2630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2854   -0.6579    2.6671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751   -0.8350    3.1216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8733   -1.0169    0.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9858    1.1981    0.6353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014    1.0156   -0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725    3.4652   -0.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8270    3.2049    1.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2147    4.2571   -0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2966    3.5540   -2.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133    3.9692   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7462    2.9157    0.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2754    2.4232   -1.3612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9650    0.6822   -1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6789    0.2385    1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9363   -0.9006   -1.0965 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8814   -1.4906    0.4793 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9957    1.3251    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7329    0.1134    1.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9564    0.2488    1.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3907   -0.4662   -1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847   -2.4195   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659    0.1602   -3.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132    2.4028   -1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5229    2.0823   -1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6392    1.9745   -3.3566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  2  0
 18 20  1  0
 16 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 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
  6  2  1  0
 11 20  1  1
 35 26  1  0
 10  4  1  0
 21 11  1  0
 22  4  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  3 40  1  0
  5 41  1  0
  5 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  6
 12 49  1  0
 12 50  1  0
 13 51  1  0
 13 52  1  0
 14 53  1  6
 15 54  1  0
 17 55  1  0
 17 56  1  0
 17 57  1  0
 21 58  1  6
 22 59  1  1
 26 60  1  6
 28 61  1  1
 29 62  1  0
 29 63  1  0
 30 64  1  0
 31 65  1  1
 32 66  1  0
 33 67  1  6
 34 68  1  0
 35 69  1  1
 36 70  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Gibberellin A1 glucosyl ester	HMDB
GA1 glucosyl ester	HMDB

Chemical Formula

C₂₅H₃₄O₁₁

Average Molecular Weight

510.5309

Monoisotopic Molecular Weight

510.21011193

IUPAC Name

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

Traditional Name

CAS Registry Number

54788-51-1

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

InChI Identifier

InChI=1S/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(27)22(2,21(32)36-25)18(25)14(23)19(31)35-20-17(30)16(29)15(28)11(8-26)34-20/h11-18,20,26-30,33H,1,3-9H2,2H3/t11-,12-,13+,14-,15-,16+,17-,18-,20+,22-,23+,24+,25-/m1/s1

InChI Key

YNUHPGJFLBSPMR-HRHVLVCKSA-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
Diterpenoid
Diterpene lactone
20-norgibberellane diterpenoid
Gibberellin
Fatty acyl glycoside of mono- or disaccharide
Fatty acyl glycoside
Hexose monosaccharide
Caprolactone
Oxepane
Fatty acyl
Oxane
Monosaccharide
Gamma butyrolactone
Dicarboxylic acid or derivatives
Tetrahydrofuran
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Lactone
Carboxylic acid ester
Oxacycle
Organoheterocyclic compound
Polyol
Carboxylic acid derivative
Acetal
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0038609)

Food

Pulse

Bean

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

Pulses (FooDB: FOOD00867)

Endogenous

Endogenous (HMDB: HMDB0038609)

Process

Not Available

Role

Not Available

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	7.89 g/L	ALOGPS
logP	-1	ALOGPS
logP	-1.9	ChemAxon
logS	-1.8	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	118.04 m³·mol⁻¹	ChemAxon
Polarizability	51.24 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]-	229.277	30932474
DeepCCS	[M+Na]+	203.391	30932474

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Gibberellin A1 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@@]3(C)[C@@H](O)CC[C@@]21OC3=O	3595.2	Standard polar	33892256
Gibberellin A1 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@@]3(C)[C@@H](O)CC[C@@]21OC3=O	3699.9	Standard non polar	33892256
Gibberellin A1 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@@]3(C)[C@@H](O)CC[C@@]21OC3=O	4227.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3773.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3692.5	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3700.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3709.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3692.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3730.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3714.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3662.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3637.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3626.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3668.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3652.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3656.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3685.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3690.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3699.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3685.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3655.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3654.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3644.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3638.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3651.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3655.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3639.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3633.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3626.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3626.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3621.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3623.5	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3624.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3613.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3621.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3648.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3639.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3661.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3650.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3654.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3638.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3644.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3637.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3627.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3627.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3627.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3611.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3598.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3611.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3617.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3608.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3621.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3620.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3621.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3608.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3638.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3623.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3610.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3624.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3603.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3586.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3605.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3606.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3620.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3593.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3985.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3918.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3928.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3928.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	3915.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	3923.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[C@H]2[C@@H]3C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4137.7	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4093.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4074.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4067.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4094.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4084.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4081.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4132.5	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4137.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4144.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4127.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4086.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4104.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4097.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4091.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4288.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4289.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4263.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4262.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4252.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4256.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4252.4	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4255.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4235.3	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4230.6	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4226.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4288.8	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4247.5	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4303.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4281.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4306.2	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4302.9	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4296.0	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4277.1	Semi standard non polar	33892256
Gibberellin A1 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)O1)[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	4270.4	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 - Gibberellin A1 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 A1 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 A1 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 A1 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 A1 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 A1 glucosyl ester GC-MS ("Gibberellin A1 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 A1 glucosyl ester 10V, Positive-QTOF	splash10-03di-0001290000-21f7013bbee806547417	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A1 glucosyl ester 20V, Positive-QTOF	splash10-03di-0019880000-303d690a4b8f6c7ea132	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A1 glucosyl ester 40V, Positive-QTOF	splash10-08fs-9308830000-7e0ba5e8e41d63c627eb	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A1 glucosyl ester 10V, Negative-QTOF	splash10-0a4i-0100090000-b4dda75e83f24486444d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A1 glucosyl ester 20V, Negative-QTOF	splash10-0a4i-6107790000-c683157b93783dad6bf0	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Gibberellin A1 glucosyl ester 40V, Negative-QTOF	splash10-0a4l-9003210000-1146a46ca78f12ee9bbc	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)	2021-09-24	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

FDB018000

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

Not Available

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 A1 glucosyl ester (HMDB0038609)

MOL for HMDB0038609 (Gibberellin A1 glucosyl ester)

3D MOL for HMDB0038609 (Gibberellin A1 glucosyl ester)

3D SDF for HMDB0038609 (Gibberellin A1 glucosyl ester)

3D-SDF for HMDB0038609 (Gibberellin A1 glucosyl ester)

PDB for HMDB0038609 (Gibberellin A1 glucosyl ester)

3D PDB for HMDB0038609 (Gibberellin A1 glucosyl ester)

SMILES for HMDB0038609 (Gibberellin A1 glucosyl ester)

INCHI for HMDB0038609 (Gibberellin A1 glucosyl ester)

Structure for HMDB0038609 (Gibberellin A1 glucosyl ester)

3D Structure for HMDB0038609 (Gibberellin A1 glucosyl ester)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra