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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:42:27 UTC

Update Date

2022-03-07 02:54:14 UTC

HMDB ID

HMDB0034784

Secondary Accession Numbers

HMDB34784

Metabolite Identification

Common Name

trans-p-Menthane-1,7,8-triol 8-glucoside

Description

trans-p-Menthane-1,7,8-triol 8-glucoside belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. trans-p-Menthane-1,7,8-triol 8-glucoside has been detected, but not quantified in, herbs and spices. This could make trans-p-menthane-1,7,8-triol 8-glucoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on trans-p-Menthane-1,7,8-triol 8-glucoside.

Structure

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

HMDB0034784
     RDKit          3D
trans-p-Menthane-1,7,8-triol 8-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.0680   -2.0007    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -0.5100    1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    0.0968    2.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -0.0097    0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -0.1009    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606    1.2054    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    1.2791    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    2.3836   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0550    2.1483   -1.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604    0.0183    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    0.3533   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452   -0.9564   -0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805   -2.2476   -0.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -0.7892   -1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308   -2.0124   -1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174   -0.3903    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594    1.0329    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    1.0360    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323    0.0589   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0028   -0.9979    0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604    0.8101   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7114    1.8885   -1.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3184   -0.5170   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392   -1.1336   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3376   -2.5586    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814   -2.4609    1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -2.2060    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506   -0.2360    3.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    1.1881    2.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115   -0.3696    2.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536   -0.5846    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    1.6570    1.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3323   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150    2.4595   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600    1.3605   -2.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -0.4556    1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    0.7719    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -0.9950   -1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -2.1469    0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.1399   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8689    1.7253    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0523    1.3862   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9794    0.6230    1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2463   -2.2191   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -1.0400   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 50  1  0
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 23 52  1  0
 24 53  1  0
 24 54  1  0
M  END


  Mrv0541 02241209492D          

 24 25  0  0  0  0            999 V2000
   -0.7274    2.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434    1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3764    0.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791    1.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0516    2.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3172    2.5623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0219    3.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5597   -0.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1794    0.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8961    3.1949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3915   -2.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0371   -3.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -2.3987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1794   -1.1612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
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 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
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 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034784

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1

> <INCHI_IDENTIFIER>
InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3

> <INCHI_KEY>
PHDIOUHOXBJRFB-UHFFFAOYSA-N

> <FORMULA>
C16H30O8

> <MOLECULAR_WEIGHT>
350.4046

> <EXACT_MASS>
350.194067936

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
36.419159339126054

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-({2-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.23

> <JCHEM_LOGP>
-1.6310295783333335

> <ALOGPS_LOGS>
-1.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.124665306372801

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.200706433884292

> <JCHEM_PKA_STRONGEST_BASIC>
-2.981083672178724

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
83.328

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.29e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-({2-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0034784
     RDKit          3D
trans-p-Menthane-1,7,8-triol 8-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.0680   -2.0007    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -0.5100    1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    0.0968    2.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -0.0097    0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -0.1009    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606    1.2054    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    1.2791    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    2.3836   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0550    2.1483   -1.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6793    0.3533   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3323    0.0589   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0028   -0.9979    0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604    0.8101   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0174    0.2233   -2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463   -2.2191   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -1.0400   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
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  4  5  1  0
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 14  5  1  0
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 10 36  1  0
 11 37  1  0
 12 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 20 47  1  0
 21 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 24 53  1  0
 24 54  1  0
M  END

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.358   3.939   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.201   2.417   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.569   1.626   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.881   2.417   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.830   3.992   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.459   4.783   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.540   6.018   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -0.041   5.833   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.045  -0.007   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.623   0.050   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.068   0.024   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -3.539   5.964   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      -2.597  -1.397   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.263  -2.168   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.263  -3.708   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.069  -4.478   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.399  -3.708   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.399  -2.168   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.069  -1.400   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -2.597  -4.478   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.069  -6.018   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.733  -4.478   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       2.733  -1.397   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.068  -2.168   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7   12                                             
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9   10                                                            
CONECT   10    3    9   11   13                                             
CONECT   11   10                                                            
CONECT   12    6                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15   19                                                  
CONECT   15   14   16   20                                                  
CONECT   16   15   17   21                                                  
CONECT   17   16   18   22                                                  
CONECT   18   17   19   23                                                  
CONECT   19   14   18                                                       
CONECT   20   15                                                            
CONECT   21   16                                                            
CONECT   22   17                                                            
CONECT   23   18   24                                                       
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0034784
HETATM    1  C1  UNL     1      -0.068  -2.001   1.161  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.352  -0.510   1.028  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.171   0.097   2.381  1.00  0.00           C  
HETATM    4  O1  UNL     1       0.400  -0.010   0.030  1.00  0.00           O  
HETATM    5  C4  UNL     1       1.749  -0.101   0.116  1.00  0.00           C  
HETATM    6  O2  UNL     1       2.261   1.205   0.098  1.00  0.00           O  
HETATM    7  C5  UNL     1       3.595   1.279   0.353  1.00  0.00           C  
HETATM    8  C6  UNL     1       4.221   2.384  -0.510  1.00  0.00           C  
HETATM    9  O3  UNL     1       4.055   2.148  -1.854  1.00  0.00           O  
HETATM   10  C7  UNL     1       4.360   0.018   0.234  1.00  0.00           C  
HETATM   11  O4  UNL     1       5.679   0.353  -0.153  1.00  0.00           O  
HETATM   12  C8  UNL     1       3.845  -0.956  -0.767  1.00  0.00           C  
HETATM   13  O5  UNL     1       3.981  -2.248  -0.208  1.00  0.00           O  
HETATM   14  C9  UNL     1       2.384  -0.789  -1.092  1.00  0.00           C  
HETATM   15  O6  UNL     1       1.831  -2.012  -1.358  1.00  0.00           O  
HETATM   16  C10 UNL     1      -1.817  -0.390   0.657  1.00  0.00           C  
HETATM   17  C11 UNL     1      -2.259   1.033   0.488  1.00  0.00           C  
HETATM   18  C12 UNL     1      -3.771   1.036   0.623  1.00  0.00           C  
HETATM   19  C13 UNL     1      -4.332   0.059  -0.355  1.00  0.00           C  
HETATM   20  O7  UNL     1      -5.003  -0.998   0.255  1.00  0.00           O  
HETATM   21  C14 UNL     1      -5.360   0.810  -1.210  1.00  0.00           C  
HETATM   22  O8  UNL     1      -4.711   1.888  -1.842  1.00  0.00           O  
HETATM   23  C15 UNL     1      -3.318  -0.517  -1.290  1.00  0.00           C  
HETATM   24  C16 UNL     1      -2.139  -1.134  -0.616  1.00  0.00           C  
HETATM   25  H1  UNL     1      -0.338  -2.559   0.242  1.00  0.00           H  
HETATM   26  H2  UNL     1      -0.681  -2.461   1.978  1.00  0.00           H  
HETATM   27  H3  UNL     1       0.985  -2.206   1.416  1.00  0.00           H  
HETATM   28  H4  UNL     1      -1.051  -0.236   3.007  1.00  0.00           H  
HETATM   29  H5  UNL     1      -0.178   1.188   2.405  1.00  0.00           H  
HETATM   30  H6  UNL     1       0.711  -0.370   2.856  1.00  0.00           H  
HETATM   31  H7  UNL     1       2.154  -0.585   1.008  1.00  0.00           H  
HETATM   32  H8  UNL     1       3.715   1.657   1.411  1.00  0.00           H  
HETATM   33  H9  UNL     1       3.732   3.332  -0.225  1.00  0.00           H  
HETATM   34  H10 UNL     1       5.315   2.460  -0.312  1.00  0.00           H  
HETATM   35  H11 UNL     1       4.560   1.360  -2.157  1.00  0.00           H  
HETATM   36  H12 UNL     1       4.487  -0.456   1.250  1.00  0.00           H  
HETATM   37  H13 UNL     1       6.176   0.772   0.571  1.00  0.00           H  
HETATM   38  H14 UNL     1       4.460  -0.995  -1.706  1.00  0.00           H  
HETATM   39  H15 UNL     1       3.749  -2.147   0.770  1.00  0.00           H  
HETATM   40  H16 UNL     1       2.319  -0.140  -1.995  1.00  0.00           H  
HETATM   41  H17 UNL     1       2.480  -2.610  -1.806  1.00  0.00           H  
HETATM   42  H18 UNL     1      -2.385  -0.853   1.501  1.00  0.00           H  
HETATM   43  H19 UNL     1      -1.869   1.725   1.241  1.00  0.00           H  
HETATM   44  H20 UNL     1      -2.052   1.386  -0.559  1.00  0.00           H  
HETATM   45  H21 UNL     1      -3.979   0.623   1.653  1.00  0.00           H  
HETATM   46  H22 UNL     1      -4.195   2.052   0.532  1.00  0.00           H  
HETATM   47  H23 UNL     1      -5.672  -0.596   0.858  1.00  0.00           H  
HETATM   48  H24 UNL     1      -5.816   0.139  -1.967  1.00  0.00           H  
HETATM   49  H25 UNL     1      -6.178   1.219  -0.611  1.00  0.00           H  
HETATM   50  H26 UNL     1      -5.145   2.026  -2.706  1.00  0.00           H  
HETATM   51  H27 UNL     1      -3.836  -1.337  -1.865  1.00  0.00           H  
HETATM   52  H28 UNL     1      -3.017   0.223  -2.086  1.00  0.00           H  
HETATM   53  H29 UNL     1      -2.246  -2.219  -0.434  1.00  0.00           H  
HETATM   54  H30 UNL     1      -1.263  -1.040  -1.322  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3    4   16
CONECT    3   28   29   30
CONECT    4    5
CONECT    5    6   14   31
CONECT    6    7
CONECT    7    8   10   32
CONECT    8    9   33   34
CONECT    9   35
CONECT   10   11   12   36
CONECT   11   37
CONECT   12   13   14   38
CONECT   13   39
CONECT   14   15   40
CONECT   15   41
CONECT   16   17   24   42
CONECT   17   18   43   44
CONECT   18   19   45   46
CONECT   19   20   21   23
CONECT   20   47
CONECT   21   22   48   49
CONECT   22   50
CONECT   23   24   51   52
CONECT   24   53   54
END

HMDB0034784
     RDKit          3D
trans-p-Menthane-1,7,8-triol 8-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.0680   -2.0007    1.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3520   -0.5100    1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1707    0.0968    2.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3998   -0.0097    0.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -0.1009    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606    1.2054    0.0983 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955    1.2791    0.3526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    2.3836   -0.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0550    2.1483   -1.8538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3604    0.0183    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    0.3533   -0.1530 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8452   -0.9564   -0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805   -2.2476   -0.2075 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3843   -0.7892   -1.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8308   -2.0124   -1.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8174   -0.3903    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2594    1.0329    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7710    1.0360    0.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323    0.0589   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0028   -0.9979    0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604    0.8101   -1.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7114    1.8885   -1.8417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3184   -0.5170   -1.2904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1392   -1.1336   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3376   -2.5586    0.2424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6814   -2.4609    1.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9848   -2.2060    1.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0506   -0.2360    3.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    1.1881    2.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7115   -0.3696    2.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1536   -0.5846    1.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    1.6570    1.4112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.3323   -0.2253 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3150    2.4595   -0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600    1.3605   -2.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4870   -0.4556    1.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1760    0.7719    0.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4596   -0.9950   -1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486   -2.1469    0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3190   -0.1399   -1.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4800   -2.6105   -1.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3853   -0.8531    1.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689    1.7253    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0523    1.3862   -0.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9794    0.6230    1.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1952    2.0518    0.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6720   -0.5958    0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8155    0.1389   -1.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1779    1.2194   -0.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1448    2.0257   -2.7056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8358   -1.3369   -1.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    0.2233   -2.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2463   -2.2191   -0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2631   -1.0400   -1.3219 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 19 23  1  0
 23 24  1  0
 14  5  1  0
 24 16  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  3 28  1  0
  3 29  1  0
  3 30  1  0
  5 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
 10 36  1  0
 11 37  1  0
 12 38  1  0
 13 39  1  0
 14 40  1  0
 15 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 20 47  1  0
 21 48  1  0
 21 49  1  0
 22 50  1  0
 23 51  1  0
 23 52  1  0
 24 53  1  0
 24 54  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Not Available

Chemical Formula

C₁₆H₃₀O₈

Average Molecular Weight

350.4046

Monoisotopic Molecular Weight

350.194067936

IUPAC Name

2-({2-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-({2-[4-hydroxy-4-(hydroxymethyl)cyclohexyl]propan-2-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

217962-29-3

SMILES

CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1

InChI Identifier

InChI=1S/C16H30O8/c1-15(2,9-3-5-16(22,8-18)6-4-9)24-14-13(21)12(20)11(19)10(7-17)23-14/h9-14,17-22H,3-8H2,1-2H3

InChI Key

PHDIOUHOXBJRFB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Monocyclic monoterpenoid
Monoterpenoid
P-menthane monoterpenoid
Cyclohexanol
Oxane
Monosaccharide
Tertiary alcohol
Cyclic alcohol
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Primary alcohol
Hydrocarbon derivative
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (FooDB: )
Extracellular (FooDB: )
Membrane (FooDB: )
Cell membrane (FooDB: )

Route of exposure

Enteral

Ingestion (FooDB: )

Source

Endogenous

Endogenous (FooDB: )

Plant

Plant (FooDB: )

Exogenous

Food

Food (FooDB: )

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Process

Naturally occurring process

Biological process

Cellular process

Cell signaling (FooDB: )

Role

Biological role

Membrane stabilizer (FooDB: )

Nutrient

Nutrient (FooDB: )

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (FooDB: )

Emulsifier (FooDB: )

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	22.9 g/L	ALOGPS
logP	-1.2	ALOGPS
logP	-1.6	ChemAxon
logS	-1.2	ALOGPS
pKa (Strongest Acidic)	12.2	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	139.84 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	83.33 m³·mol⁻¹	ChemAxon
Polarizability	36.42 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	181.652	31661259
DarkChem	[M-H]-	174.337	31661259
DeepCCS	[M+H]+	180.025	30932474
DeepCCS	[M-H]-	177.667	30932474
DeepCCS	[M-2H]-	210.913	30932474
DeepCCS	[M+Na]+	186.14	30932474
AllCCS	[M+H]+	185.2	32859911
AllCCS	[M+H-H2O]+	182.4	32859911
AllCCS	[M+NH4]+	187.7	32859911
AllCCS	[M+Na]+	188.4	32859911
AllCCS	[M-H]-	183.1	32859911
AllCCS	[M+Na-2H]-	183.6	32859911
AllCCS	[M+HCOO]-	184.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
trans-p-Menthane-1,7,8-triol 8-glucoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1	2676.6	Standard polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1	2891.7	Standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO)CC1	2874.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(O)(CO)CC1	2922.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #2	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(O)(CO)CC1	2904.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #3	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO)CC1	2871.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #4	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2892.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #5	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2957.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TMS,isomer #6	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2913.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(O)(CO)CC1	2868.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #10	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2854.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #11	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2877.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #12	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2803.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #13	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2878.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #14	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2811.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2881.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO)CC1	2850.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2863.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2917.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2854.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #6	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO)CC1	2846.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #7	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2848.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #8	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2896.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TMS,isomer #9	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2831.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO)CC1	2812.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2809.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2850.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #12	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2853.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #13	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2772.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #14	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2863.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #15	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2784.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #16	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2811.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #17	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2868.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #18	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2783.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #19	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2806.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2808.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #20	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2814.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2841.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2764.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2820.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2851.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2756.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2842.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2770.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO)CC1	2779.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2762.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2789.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #12	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2724.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #13	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2752.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #14	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2772.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2763.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C)CC1	2788.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C)CC1	2719.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2781.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2708.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2768.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2793.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2716.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2767.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO)(O[Si](C)(C)C)CC1	2730.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(O)(CO[Si](C)(C)C)CC1	2683.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2734.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2709.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2724.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,5TMS,isomer #6	CC(C)(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2721.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,6TMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C1CCC(CO[Si](C)(C)C)(O[Si](C)(C)C)CC1	2715.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(O)(CO)CC1	3139.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #2	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(O)(CO)CC1	3134.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #3	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO)CC1	3114.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #4	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3119.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #5	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3183.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,1TBDMS,isomer #6	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3127.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #1	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(O)(CO)CC1	3287.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #10	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3292.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #11	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3326.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #12	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3267.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #13	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3319.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #14	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3271.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3338.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO)CC1	3286.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3274.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3333.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3284.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #6	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO)CC1	3285.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #7	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3287.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #8	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3338.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,2TBDMS,isomer #9	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3288.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #1	CC(C)(OC1OC(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)C1O)C1CCC(O)(CO)CC1	3458.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3495.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3458.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #12	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3493.4	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #13	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3437.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #14	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3492.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #15	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3435.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #16	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3488.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #17	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3506.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #18	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3447.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #19	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3482.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #2	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3442.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #20	CC(C)(OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3469.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #3	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3493.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3442.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3460.1	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3500.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3442.5	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3476.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,3TBDMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3426.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #1	CC(C)(OC1OC(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)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO)CC1	3614.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #10	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3633.3	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #11	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3661.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #12	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3599.6	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #13	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3638.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #14	CC(C)(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3633.9	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #15	CC(C)(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3643.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #2	CC(C)(OC1OC(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)C1O)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3668.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #3	CC(C)(OC1OC(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)C1O)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3620.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #4	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3646.7	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #5	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3594.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #6	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3659.2	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #7	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(CO)(O[Si](C)(C)C(C)(C)C)CC1	3665.8	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #8	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C)C1CCC(O)(CO[Si](C)(C)C(C)(C)C)CC1	3615.0	Semi standard non polar	33892256
trans-p-Menthane-1,7,8-triol 8-glucoside,4TBDMS,isomer #9	CC(C)(OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)C1CCC(CO[Si](C)(C)C(C)(C)C)(O[Si](C)(C)C(C)(C)C)CC1	3670.4	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 - trans-p-Menthane-1,7,8-triol 8-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-05v0-6479000000-c0d37b2036e2cedce998	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-00di-2200149000-d4b397e5fd172921d9b7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 10V, Positive-QTOF	splash10-0fer-0905000000-1f5ce47e1527f0bb3666	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 20V, Positive-QTOF	splash10-00dr-0900000000-16d5fd2bf3df203e8aaf	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 40V, Positive-QTOF	splash10-00di-1900000000-89e8378afbad9b3a9005	2016-06-20	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 10V, Negative-QTOF	splash10-00kk-1819000000-7cd30956435457e1e991	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 20V, Negative-QTOF	splash10-05n0-0902000000-9f68f0800c5fc3b130c3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 40V, Negative-QTOF	splash10-0a4i-3900000000-aa7c83dc0c19bfb840c0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 10V, Negative-QTOF	splash10-0002-0009000000-9c0a26a80d23d07bac4b	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 20V, Negative-QTOF	splash10-00kb-1019000000-f3250a4c76cfc5ac3b3c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 40V, Negative-QTOF	splash10-0a4i-9111000000-1afb3bc7686f791ff6ee	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 10V, Positive-QTOF	splash10-0uk9-0619000000-b646fcda3ea58afca96a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 20V, Positive-QTOF	splash10-00di-1901000000-d0ea8869d8f22c8a767e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - trans-p-Menthane-1,7,8-triol 8-glucoside 40V, Positive-QTOF	splash10-00ec-9810000000-8bead0b7c386b1b40e7f	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

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

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

FDB013337

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

85216187

PDB ID

Not Available

ChEBI ID

168624

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 trans-p-Menthane-1,7,8-triol 8-glucoside (HMDB0034784)

MOL for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

3D MOL for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

3D SDF for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

3D-SDF for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

PDB for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

3D PDB for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

SMILES for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

INCHI for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

Structure for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

3D Structure for HMDB0034784 (trans-p-Menthane-1,7,8-triol 8-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra