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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:57:07 UTC

Update Date

2022-03-07 02:55:27 UTC

HMDB ID

HMDB0037690

Secondary Accession Numbers

HMDB37690

Metabolite Identification

Common Name

Limocitrol 3-glucoside

Description

Limocitrol 3-glucoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Limocitrol 3-glucoside has been detected, but not quantified in, citrus and lemons (Citrus limon). This could make limocitrol 3-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Limocitrol 3-glucoside.

Structure

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


  Mrv0541 05061309572D          

 38 41  0  0  0  0            999 V2000
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

HMDB0037690
     RDKit          3D
Limocitrol 3-glucoside
 64 67  0  0  0  0  0  0  0  0999 V2000
    1.3967    5.3576    1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061309572D          

 38 41  0  0  0  0            999 V2000
    3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0037690

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1

> <INCHI_IDENTIFIER>
InChI=1S/C24H26O14/c1-33-10-6-8(4-5-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3

> <INCHI_KEY>
PRBUAZIWXABBBW-UHFFFAOYSA-N

> <FORMULA>
C24H26O14

> <MOLECULAR_WEIGHT>
538.4548

> <EXACT_MASS>
538.13225554

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_AVERAGE_POLARIZABILITY>
51.24319333426003

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

> <ALOGPS_LOGP>
0.80

> <JCHEM_LOGP>
-0.3142837713333336

> <ALOGPS_LOGS>
-2.59

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.988945106625248

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.440924269460484

> <JCHEM_PKA_STRONGEST_BASIC>
-2.98109237118166

> <JCHEM_POLAR_SURFACE_AREA>
214.05999999999995

> <JCHEM_REFRACTIVITY>
126.68419999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.37e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037690
     RDKit          3D
Limocitrol 3-glucoside
 64 67  0  0  0  0  0  0  0  0999 V2000
    1.3967    5.3576    1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191    5.0103    1.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470    3.7193    2.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    2.6743    1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488    1.3637    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    0.2705    0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    0.5808    0.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.2382   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    0.1721   -0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    1.4554   -0.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334    2.5560   -1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6265   -0.7060   -1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8659   -0.2575   -1.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008   -2.0190   -1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -2.8744   -2.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -3.6967   -1.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -2.3974   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313   -3.6794   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -1.5193   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -1.8868   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5745   -3.0721   -0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130   -0.9822    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -1.3628    1.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -1.3357    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2423   -0.5007    0.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4564   -0.6410    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1651    0.7007    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4097    0.6160   -0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009   -1.2082   -1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212   -0.3706   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7692   -2.5729   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547   -2.7714   -2.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -2.7092    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674   -3.1591    1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    1.1746    2.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829    2.2371    3.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    3.5174    2.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7754    4.5595    3.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.8596    0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    6.4467    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    5.0041    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    2.8437    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868    2.7141   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    2.3144   -1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920    3.4290   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4460   -0.9157   -2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833   -4.0218   -2.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859   -4.5624   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4816   -3.1391   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687   -4.3755   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.9523   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0892   -1.3307    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2526    0.9901    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5893    1.5000   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9906   -0.0558    0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4196   -1.3117   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364    0.5196   -1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5819   -3.3250   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -2.7936   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -3.4693   -0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869   -4.1223    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.2122    2.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    2.0559    3.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    5.4811    3.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
  5 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37  3  1  0
 22  6  2  0
 33 24  1  0
 19  8  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
 11 43  1  0
 11 44  1  0
 11 45  1  0
 13 46  1  0
 16 47  1  0
 16 48  1  0
 16 49  1  0
 18 50  1  0
 24 51  1  0
 26 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 30 57  1  0
 31 58  1  0
 32 59  1  0
 33 60  1  0
 34 61  1  0
 35 62  1  0
 36 63  1  0
 38 64  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       6.668   6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       8.002   4.620   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       1.334   2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
CONECT    1   33                                                            
CONECT    2   34                                                            
CONECT    3   35                                                            
CONECT    4    5    8                                                       
CONECT    5    4    9                                                       
CONECT    6    8   10                                                       
CONECT    7   11   25                                                       
CONECT    8    4    6   19                                                  
CONECT    9    5   10   26                                                  
CONECT   10    6    9   33                                                  
CONECT   11    7   13   36                                                  
CONECT   12   14   15   20                                                  
CONECT   13   11   16   27                                                  
CONECT   14   12   21   28                                                  
CONECT   15   12   23   29                                                  
CONECT   16   13   17   30                                                  
CONECT   17   16   24   31                                                  
CONECT   18   21   22   32                                                  
CONECT   19    8   23   37                                                  
CONECT   20   12   22   37                                                  
CONECT   21   14   18   34                                                  
CONECT   22   18   20   35                                                  
CONECT   23   15   19   38                                                  
CONECT   24   17   36   38                                                  
CONECT   25    7                                                            
CONECT   26    9                                                            
CONECT   27   13                                                            
CONECT   28   14                                                            
CONECT   29   15                                                            
CONECT   30   16                                                            
CONECT   31   17                                                            
CONECT   32   18                                                            
CONECT   33    1   10                                                       
CONECT   34    2   21                                                       
CONECT   35    3   22                                                       
CONECT   36   11   24                                                       
CONECT   37   19   20                                                       
CONECT   38   23   24                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0037690
HETATM    1  C1  UNL     1       1.397   5.358   1.131  1.00  0.00           C  
HETATM    2  O1  UNL     1       0.319   5.010   1.985  1.00  0.00           O  
HETATM    3  C2  UNL     1      -0.147   3.719   2.124  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.399   2.674   1.444  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.049   1.364   1.564  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.605   0.271   0.871  1.00  0.00           C  
HETATM    7  O2  UNL     1       1.826   0.581   0.401  1.00  0.00           O  
HETATM    8  C6  UNL     1       2.590  -0.238  -0.243  1.00  0.00           C  
HETATM    9  C7  UNL     1       3.828   0.172  -0.686  1.00  0.00           C  
HETATM   10  O3  UNL     1       4.252   1.455  -0.444  1.00  0.00           O  
HETATM   11  C8  UNL     1       4.033   2.556  -1.294  1.00  0.00           C  
HETATM   12  C9  UNL     1       4.626  -0.706  -1.366  1.00  0.00           C  
HETATM   13  O4  UNL     1       5.866  -0.258  -1.797  1.00  0.00           O  
HETATM   14  C10 UNL     1       4.201  -2.019  -1.618  1.00  0.00           C  
HETATM   15  O5  UNL     1       5.044  -2.874  -2.311  1.00  0.00           O  
HETATM   16  C11 UNL     1       5.993  -3.697  -1.648  1.00  0.00           C  
HETATM   17  C12 UNL     1       2.959  -2.397  -1.162  1.00  0.00           C  
HETATM   18  O6  UNL     1       2.531  -3.679  -1.402  1.00  0.00           O  
HETATM   19  C13 UNL     1       2.163  -1.519  -0.483  1.00  0.00           C  
HETATM   20  C14 UNL     1       0.900  -1.887  -0.015  1.00  0.00           C  
HETATM   21  O7  UNL     1       0.574  -3.072  -0.269  1.00  0.00           O  
HETATM   22  C15 UNL     1       0.113  -0.982   0.667  1.00  0.00           C  
HETATM   23  O8  UNL     1      -1.116  -1.363   1.096  1.00  0.00           O  
HETATM   24  C16 UNL     1      -2.287  -1.336   0.305  1.00  0.00           C  
HETATM   25  O9  UNL     1      -3.242  -0.501   0.776  1.00  0.00           O  
HETATM   26  C17 UNL     1      -4.456  -0.641   0.161  1.00  0.00           C  
HETATM   27  C18 UNL     1      -5.165   0.701   0.200  1.00  0.00           C  
HETATM   28  O10 UNL     1      -6.410   0.616  -0.414  1.00  0.00           O  
HETATM   29  C19 UNL     1      -4.401  -1.208  -1.222  1.00  0.00           C  
HETATM   30  O11 UNL     1      -3.721  -0.371  -2.104  1.00  0.00           O  
HETATM   31  C20 UNL     1      -3.769  -2.573  -1.175  1.00  0.00           C  
HETATM   32  O12 UNL     1      -3.055  -2.771  -2.348  1.00  0.00           O  
HETATM   33  C21 UNL     1      -2.867  -2.709   0.061  1.00  0.00           C  
HETATM   34  O13 UNL     1      -3.667  -3.159   1.086  1.00  0.00           O  
HETATM   35  C22 UNL     1      -1.096   1.175   2.425  1.00  0.00           C  
HETATM   36  C23 UNL     1      -1.683   2.237   3.142  1.00  0.00           C  
HETATM   37  C24 UNL     1      -1.205   3.517   2.990  1.00  0.00           C  
HETATM   38  O14 UNL     1      -1.775   4.560   3.689  1.00  0.00           O  
HETATM   39  H1  UNL     1       1.222   4.860   0.158  1.00  0.00           H  
HETATM   40  H2  UNL     1       1.400   6.447   0.952  1.00  0.00           H  
HETATM   41  H3  UNL     1       2.329   5.004   1.618  1.00  0.00           H  
HETATM   42  H4  UNL     1       1.228   2.844   0.766  1.00  0.00           H  
HETATM   43  H5  UNL     1       4.987   2.714  -1.863  1.00  0.00           H  
HETATM   44  H6  UNL     1       3.202   2.314  -1.982  1.00  0.00           H  
HETATM   45  H7  UNL     1       3.792   3.429  -0.653  1.00  0.00           H  
HETATM   46  H8  UNL     1       6.446  -0.916  -2.298  1.00  0.00           H  
HETATM   47  H9  UNL     1       6.783  -4.022  -2.352  1.00  0.00           H  
HETATM   48  H10 UNL     1       5.486  -4.562  -1.199  1.00  0.00           H  
HETATM   49  H11 UNL     1       6.482  -3.139  -0.801  1.00  0.00           H  
HETATM   50  H12 UNL     1       3.069  -4.376  -1.896  1.00  0.00           H  
HETATM   51  H13 UNL     1      -1.953  -0.952  -0.704  1.00  0.00           H  
HETATM   52  H14 UNL     1      -5.089  -1.331   0.791  1.00  0.00           H  
HETATM   53  H15 UNL     1      -5.253   0.990   1.269  1.00  0.00           H  
HETATM   54  H16 UNL     1      -4.589   1.500  -0.302  1.00  0.00           H  
HETATM   55  H17 UNL     1      -6.991  -0.056   0.046  1.00  0.00           H  
HETATM   56  H18 UNL     1      -5.420  -1.312  -1.625  1.00  0.00           H  
HETATM   57  H19 UNL     1      -3.536   0.520  -1.746  1.00  0.00           H  
HETATM   58  H20 UNL     1      -4.582  -3.325  -1.140  1.00  0.00           H  
HETATM   59  H21 UNL     1      -2.091  -2.794  -2.228  1.00  0.00           H  
HETATM   60  H22 UNL     1      -2.113  -3.469  -0.213  1.00  0.00           H  
HETATM   61  H23 UNL     1      -3.487  -4.122   1.284  1.00  0.00           H  
HETATM   62  H24 UNL     1      -1.514   0.212   2.628  1.00  0.00           H  
HETATM   63  H25 UNL     1      -2.503   2.056   3.809  1.00  0.00           H  
HETATM   64  H26 UNL     1      -1.412   5.481   3.563  1.00  0.00           H  
CONECT    1    2   39   40   41
CONECT    2    3
CONECT    3    4    4   37
CONECT    4    5   42
CONECT    5    6   35   35
CONECT    6    7   22   22
CONECT    7    8
CONECT    8    9    9   19
CONECT    9   10   12
CONECT   10   11
CONECT   11   43   44   45
CONECT   12   13   14   14
CONECT   13   46
CONECT   14   15   17
CONECT   15   16
CONECT   16   47   48   49
CONECT   17   18   19   19
CONECT   18   50
CONECT   19   20
CONECT   20   21   21   22
CONECT   22   23
CONECT   23   24
CONECT   24   25   33   51
CONECT   25   26
CONECT   26   27   29   52
CONECT   27   28   53   54
CONECT   28   55
CONECT   29   30   31   56
CONECT   30   57
CONECT   31   32   33   58
CONECT   32   59
CONECT   33   34   60
CONECT   34   61
CONECT   35   36   62
CONECT   36   37   37   63
CONECT   37   38
CONECT   38   64
END

HMDB0037690
     RDKit          3D
Limocitrol 3-glucoside
 64 67  0  0  0  0  0  0  0  0999 V2000
    1.3967    5.3576    1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191    5.0103    1.9846 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1470    3.7193    2.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3995    2.6743    1.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0488    1.3637    1.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    0.2705    0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8263    0.5808    0.4007 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5897   -0.2382   -0.2428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8276    0.1721   -0.6862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2516    1.4554   -0.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0334    2.5560   -1.2937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6265   -0.7060   -1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8659   -0.2575   -1.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2008   -2.0190   -1.6180 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0442   -2.8744   -2.3112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928   -3.6967   -1.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9591   -2.3974   -1.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5313   -3.6794   -1.4018 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1635   -1.5193   -0.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9001   -1.8868   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5745   -3.0721   -0.2690 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130   -0.9822    0.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1164   -1.3628    1.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2874   -1.3357    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2423   -0.5007    0.7760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4564   -0.6410    0.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1651    0.7007    0.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4097    0.6160   -0.4136 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009   -1.2082   -1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212   -0.3706   -2.1035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7692   -2.5729   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0547   -2.7714   -2.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8668   -2.7092    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6674   -3.1591    1.0857 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0963    1.1746    2.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6829    2.2371    3.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    3.5174    2.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7754    4.5595    3.6887 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2216    4.8596    0.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4001    6.4467    0.9525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3290    5.0041    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    2.8437    0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9868    2.7141   -1.8627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2020    2.3144   -1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7920    3.4290   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4460   -0.9157   -2.2984 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7833   -4.0218   -2.3520 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4859   -4.5624   -1.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4816   -3.1391   -0.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0687   -4.3755   -1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9531   -0.9523   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0892   -1.3307    0.7911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2526    0.9901    1.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5893    1.5000   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9906   -0.0558    0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4196   -1.3117   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5364    0.5196   -1.7462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5819   -3.3250   -1.1402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -2.7936   -2.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -3.4693   -0.2127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869   -4.1223    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5138    0.2122    2.6284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5034    2.0559    3.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4124    5.4811    3.5629 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
  5 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37  3  1  0
 22  6  2  0
 33 24  1  0
 19  8  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  4 42  1  0
 11 43  1  0
 11 44  1  0
 11 45  1  0
 13 46  1  0
 16 47  1  0
 16 48  1  0
 16 49  1  0
 18 50  1  0
 24 51  1  0
 26 52  1  0
 27 53  1  0
 27 54  1  0
 28 55  1  0
 29 56  1  0
 30 57  1  0
 31 58  1  0
 32 59  1  0
 33 60  1  0
 34 61  1  0
 35 62  1  0
 36 63  1  0
 38 64  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₂₄H₂₆O₁₄

Average Molecular Weight

538.4548

Monoisotopic Molecular Weight

538.13225554

IUPAC Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-4-one

CAS Registry Number

77133-42-7

SMILES

COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1

InChI Identifier

InChI=1S/C24H26O14/c1-33-10-6-8(4-5-9(10)26)19-23(38-24-17(31)16(30)13(27)11(7-25)36-24)15(29)12-14(28)21(34-2)18(32)22(35-3)20(12)37-19/h4-6,11,13,16-17,24-28,30-32H,7H2,1-3H3

InChI Key

PRBUAZIWXABBBW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
8-methoxyflavonoid-skeleton
6-methoxyflavonoid-skeleton
3p-methoxyflavonoid-skeleton
5-hydroxyflavonoid
7-hydroxyflavonoid
Hydroxyflavonoid
4'-hydroxyflavonoid
Flavone
Hexose monosaccharide
O-glycosyl compound
Glycosyl compound
Chromone
Methoxyphenol
1-benzopyran
Benzopyran
Phenoxy compound
Anisole
Phenol ether
Methoxybenzene
Phenol
Alkyl aryl ether
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Pyran
Oxane
Monosaccharide
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Ether
Acetal
Organoheterocyclic compound
Polyol
Oxacycle
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Alcohol
Primary alcohol
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037690)
Cytoplasm (HMDB: HMDB0037690)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037690)

Source

Exogenous

Exogenous (HMDB: HMDB0037690)

Food

Food (HMDB: HMDB0037690)

Fruit

Citrus

Lemon (FooDB: FOOD00054)
Citrus (FooDB: FOOD00859)

Endogenous

Plant

Plant (HMDB: HMDB0037690)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0037690)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	203 - 204 °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	1.37 g/L	ALOGPS
logP	0.8	ALOGPS
logP	-0.31	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	6.44	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	214.06 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	126.68 m³·mol⁻¹	ChemAxon
Polarizability	51.24 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	224.124	31661259
DarkChem	[M-H]-	213.772	31661259
DeepCCS	[M+H]+	209.937	30932474
DeepCCS	[M-H]-	207.542	30932474
DeepCCS	[M-2H]-	240.425	30932474
DeepCCS	[M+Na]+	215.899	30932474
AllCCS	[M+H]+	220.0	32859911
AllCCS	[M+H-H2O]+	218.1	32859911
AllCCS	[M+NH4]+	221.7	32859911
AllCCS	[M+Na]+	222.2	32859911
AllCCS	[M-H]-	221.5	32859911
AllCCS	[M+Na-2H]-	222.8	32859911
AllCCS	[M+HCOO]-	224.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Limocitrol 3-glucoside	COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	6139.5	Standard polar	33892256
Limocitrol 3-glucoside	COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	4476.6	Standard non polar	33892256
Limocitrol 3-glucoside	COC1=C(O)C=CC(=C1)C1=C(OC2OC(CO)C(O)C(O)C2O)C(=O)C2=C(O)C(OC)=C(O)C(OC)=C2O1	4714.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Limocitrol 3-glucoside,1TMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4534.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #2	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4566.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #3	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4520.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4515.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4526.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #6	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4514.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TMS,isomer #7	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4511.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4337.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #10	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4397.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4401.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #12	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4336.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #13	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4341.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4381.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #15	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4379.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #16	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4329.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #17	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4338.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #18	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4395.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #19	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4326.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #2	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4343.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #20	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4331.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #21	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4328.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #3	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4392.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4383.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4380.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #6	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4377.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #7	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4337.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #8	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4338.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TMS,isomer #9	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4403.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4193.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #10	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4281.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4268.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #12	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4278.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #13	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4256.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4255.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #15	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4274.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #16	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4176.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #17	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4242.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #18	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4213.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #19	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4244.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #2	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4218.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #20	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4232.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #21	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4214.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #22	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4236.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #23	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4246.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #24	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4253.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #25	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4254.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #26	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4193.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #27	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4217.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #28	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4221.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #29	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4211.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #3	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4234.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #30	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4214.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #31	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4265.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #32	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4177.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #33	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4229.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #34	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4223.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #35	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4190.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4212.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4234.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #6	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4214.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #7	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4225.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #8	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4212.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TMS,isomer #9	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4227.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #1	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4116.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #10	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4152.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4161.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #12	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4146.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #13	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4164.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4139.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #15	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4149.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #16	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4148.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #17	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4195.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #18	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4218.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #19	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4200.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #2	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4133.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #20	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4188.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #21	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4122.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #22	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4096.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #23	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4126.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #24	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4138.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #25	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4190.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #26	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4143.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #27	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4137.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #28	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4181.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #29	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4140.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #3	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4105.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #30	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4186.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #31	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4110.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #32	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4124.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #33	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4143.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #34	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4134.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #35	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4115.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4135.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #5	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4166.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #6	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4144.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #7	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4172.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #8	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4146.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,4TMS,isomer #9	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4157.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #1	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4093.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #10	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4123.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4131.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #12	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4158.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #13	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4127.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4116.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #15	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4166.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #16	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4075.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #17	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4106.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #18	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4069.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #19	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4136.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #2	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4075.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #20	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4135.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #21	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O	4074.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #3	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4104.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4082.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4097.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #6	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4080.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #7	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4129.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #8	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4160.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,5TMS,isomer #9	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C	4125.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4774.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4781.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4809.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4810.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4799.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4771.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,1TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4766.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4838.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #10	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4841.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4826.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #12	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4837.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #13	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4845.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4854.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #15	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4853.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #16	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4821.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #17	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4833.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #18	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4869.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #19	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4816.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4850.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #20	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4821.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #21	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4830.4	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4829.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4853.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4843.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4836.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4801.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4812.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,2TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4833.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #1	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4887.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #10	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4931.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #11	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4951.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #12	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4931.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #13	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4942.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #14	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4939.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #15	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4947.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #16	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4820.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #17	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4881.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #18	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4893.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #19	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4878.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #2	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4895.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #20	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4897.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #21	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4914.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #22	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4895.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #23	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4952.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #24	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4945.5	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #25	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4948.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #26	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4847.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #27	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4887.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #28	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4886.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #29	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4905.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #3	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4919.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #30	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4902.6	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #31	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4937.8	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #32	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4841.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #33	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4895.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #34	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O	4911.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #35	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O	4824.9	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #4	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4906.0	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #5	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C(OC)=C(O[Si](C)(C)C(C)(C)C)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4899.1	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #6	COC1=CC(C2=C(OC3OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4913.7	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #7	COC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4930.3	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #8	COC1=CC(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4924.2	Semi standard non polar	33892256
Limocitrol 3-glucoside,3TBDMS,isomer #9	COC1=CC(C2=C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C(OC)=C(O)C(OC)=C3O2)=CC=C1O[Si](C)(C)C(C)(C)C	4910.1	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 - Limocitrol 3-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-05fr-9300450000-8d12e63d91705ff8d62c	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (2 TMS) - 70eV, Positive	splash10-014i-6300019000-561b05cda0678472a318	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Limocitrol 3-glucoside GC-MS (TMS_2_17) - 70eV, Positive	Not Available	2021-10-13	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 - Limocitrol 3-glucoside 10V, Positive-QTOF	splash10-004r-0109080000-1100deb62e0b7014d1f1	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 20V, Positive-QTOF	splash10-004i-0009000000-e7bcca78e5527ab7409a	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 40V, Positive-QTOF	splash10-03di-1309000000-89cfa1953f68e991e973	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 10V, Negative-QTOF	splash10-002r-0105190000-24b2e854b09345b09bf7	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 20V, Negative-QTOF	splash10-056r-1009120000-b9752ffab473e2f0fe09	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 40V, Negative-QTOF	splash10-0zi0-1209000000-41f4c09c85d4b580ae39	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 10V, Negative-QTOF	splash10-000i-0000090000-ae8bc1a878200268b58c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 20V, Negative-QTOF	splash10-000i-0005090000-e38ac45f62513e75363f	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 40V, Negative-QTOF	splash10-00di-0009000000-8f59a2806d85a78a9332	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 10V, Positive-QTOF	splash10-004i-0009020000-f95d09e9312255a29519	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 20V, Positive-QTOF	splash10-0050-0009090000-ba565a16cc53c923295e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Limocitrol 3-glucoside 40V, Positive-QTOF	splash10-004i-0009000000-840f35dc477cf664529d	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

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

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

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

FDB016818

KNApSAcK ID

C00005783

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

73981646

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Limocitrol 3-glucoside (HMDB0037690)

MOL for HMDB0037690 (Limocitrol 3-glucoside)

3D MOL for HMDB0037690 (Limocitrol 3-glucoside)

3D SDF for HMDB0037690 (Limocitrol 3-glucoside)

3D-SDF for HMDB0037690 (Limocitrol 3-glucoside)

PDB for HMDB0037690 (Limocitrol 3-glucoside)

3D PDB for HMDB0037690 (Limocitrol 3-glucoside)

SMILES for HMDB0037690 (Limocitrol 3-glucoside)

INCHI for HMDB0037690 (Limocitrol 3-glucoside)

Structure for HMDB0037690 (Limocitrol 3-glucoside)

3D Structure for HMDB0037690 (Limocitrol 3-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra