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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 01:31:57 UTC

Update Date

2022-03-07 02:56:25 UTC

HMDB ID

HMDB0039977

Secondary Accession Numbers

HMDB39977

Metabolite Identification

Common Name

(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside

Description

(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone. Based on a literature review a small amount of articles have been published on (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside.

Structure

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

HMDB0039977
     RDKit          3D
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.6947   -2.3317   -2.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -0.8379   -1.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -0.3654   -2.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -0.7938   -1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167   -0.0805    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6423   -0.2542    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933    0.4696    2.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8906   -1.5964    1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9596    0.3875    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8052    0.2167    1.8856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -0.5281    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374   -0.5735   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    0.5819   -0.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.3465   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.9652    1.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    0.7674    1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -0.6986    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282   -1.2752    2.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    1.4636    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1199    2.4954    1.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    1.9219   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033    2.1809   -1.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.8070   -1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    1.2672   -2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -2.8502   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -2.6015   -2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640   -2.6422   -2.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -0.3815   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.7431   -2.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.7267   -3.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102   -1.8828   -0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.4751   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.0238   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.1654    2.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1108    0.6593    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873    1.4471    2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718   -1.7663    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751    1.4783    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4709   -0.1340   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -0.7264    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -1.5428    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    0.1335    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.4116   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.7397   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    1.2217    2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407   -0.7319    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.1915    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -2.1780    2.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    0.6783    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    2.0849    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011    2.8241   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    3.1584   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -0.0403   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890    2.2001   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  2  1  0
 23 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  0
M  END

  Mrv0541 05061311322D          

 24 25  0  0  0  0            999 V2000
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    4.5375    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
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    5.3625    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
    2.1434    3.7125    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
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  1  0  0  0  0
  8  1  1  0  0  0  0
  8  3  1  0  0  0  0
  9  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16  2  1  0  0  0  0
 16  7  1  0  0  0  0
 16  9  1  0  0  0  0
 17  6  1  0  0  0  0
 18  7  1  0  0  0  0
 19 12  1  0  0  0  0
 20 13  1  0  0  0  0
 21 14  1  0  0  0  0
 22 16  1  0  0  0  0
 23 10  1  0  0  0  0
 23 15  1  0  0  0  0
 24 11  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039977

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3

> <INCHI_KEY>
SNALOKSNSOHGKY-UHFFFAOYSA-N

> <FORMULA>
C16H30O8

> <MOLECULAR_WEIGHT>
350.4046

> <EXACT_MASS>
350.194067936

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
36.53593347986515

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-1.35

> <JCHEM_LOGP>
-1.546633420333333

> <ALOGPS_LOGS>
-1.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.125264757419757

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.201148368999174

> <JCHEM_PKA_STRONGEST_BASIC>
-2.9810835427781575

> <JCHEM_POLAR_SURFACE_AREA>
139.84

> <JCHEM_REFRACTIVITY>
83.1614

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.72e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{[5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039977
     RDKit          3D
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.6947   -2.3317   -2.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -0.8379   -1.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -0.3654   -2.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -0.7938   -1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167   -0.0805    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6423   -0.2542    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933    0.4696    2.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8906   -1.5964    1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9596    0.3875    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8052    0.2167    1.8856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -0.5281    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374   -0.5735   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    0.5819   -0.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.3465   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.9652    1.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    0.7674    1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -0.6986    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282   -1.2752    2.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    1.4636    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1199    2.4954    1.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    1.9219   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033    2.1809   -1.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.8070   -1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    1.2672   -2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -2.8502   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -2.6015   -2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640   -2.6422   -2.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -0.3815   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.7431   -2.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.7267   -3.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102   -1.8828   -0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.4751   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.0238   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.1654    2.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1108    0.6593    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873    1.4471    2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718   -1.7663    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751    1.4783    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4709   -0.1340   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -0.7264    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -1.5428    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    0.1335    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.4116   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.7397   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    1.2217    2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407   -0.7319    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.1915    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -2.1780    2.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    0.6783    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    2.0849    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011    2.8241   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    3.1584   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -0.0403   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890    2.2001   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  2  1  0
 23 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  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       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.541   8.470   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       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001  10.010   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001   6.930   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      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.336   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   6.160   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0       5.335  10.780   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      12.003   6.930   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       9.336   8.470   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       2.461   8.470   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336   3.850   0.000  0.00  0.00           O+0
CONECT    1    8                                                            
CONECT    2   16                                                            
CONECT    3    4    8                                                       
CONECT    4    3    9                                                       
CONECT    5    9   10                                                       
CONECT    6   11   17                                                       
CONECT    7   16   18                                                       
CONECT    8    1    3   10                                                  
CONECT    9    4    5   16                                                  
CONECT   10    5    8   23                                                  
CONECT   11    6   12   24                                                  
CONECT   12   11   13   19                                                  
CONECT   13   12   14   20                                                  
CONECT   14   13   15   21                                                  
CONECT   15   14   23   24                                                  
CONECT   16    2    7    9   22                                             
CONECT   17    6                                                            
CONECT   18    7                                                            
CONECT   19   12                                                            
CONECT   20   13                                                            
CONECT   21   14                                                            
CONECT   22   16                                                            
CONECT   23   10   15                                                       
CONECT   24   11   15                                                       
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

COMPND    HMDB0039977
HETATM    1  C1  UNL     1      -0.695  -2.332  -2.260  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.712  -0.838  -1.995  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.112  -0.365  -2.270  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.077  -0.794  -1.169  1.00  0.00           C  
HETATM    5  C5  UNL     1      -2.617  -0.080   0.058  1.00  0.00           C  
HETATM    6  C6  UNL     1      -3.642  -0.254   1.145  1.00  0.00           C  
HETATM    7  C7  UNL     1      -3.193   0.470   2.424  1.00  0.00           C  
HETATM    8  O1  UNL     1      -3.891  -1.596   1.414  1.00  0.00           O  
HETATM    9  C8  UNL     1      -4.960   0.387   0.765  1.00  0.00           C  
HETATM   10  O2  UNL     1      -5.805   0.217   1.886  1.00  0.00           O  
HETATM   11  C9  UNL     1      -1.254  -0.528   0.450  1.00  0.00           C  
HETATM   12  C10 UNL     1      -0.237  -0.573  -0.616  1.00  0.00           C  
HETATM   13  O3  UNL     1       0.547   0.582  -0.514  1.00  0.00           O  
HETATM   14  C11 UNL     1       1.855   0.347  -0.150  1.00  0.00           C  
HETATM   15  O4  UNL     1       2.197   0.965   1.039  1.00  0.00           O  
HETATM   16  C12 UNL     1       3.464   0.767   1.486  1.00  0.00           C  
HETATM   17  C13 UNL     1       3.799  -0.699   1.638  1.00  0.00           C  
HETATM   18  O5  UNL     1       2.928  -1.275   2.527  1.00  0.00           O  
HETATM   19  C14 UNL     1       4.442   1.464   0.585  1.00  0.00           C  
HETATM   20  O6  UNL     1       5.120   2.495   1.234  1.00  0.00           O  
HETATM   21  C15 UNL     1       3.728   1.922  -0.639  1.00  0.00           C  
HETATM   22  O7  UNL     1       4.703   2.181  -1.626  1.00  0.00           O  
HETATM   23  C16 UNL     1       2.855   0.807  -1.183  1.00  0.00           C  
HETATM   24  O8  UNL     1       2.295   1.267  -2.345  1.00  0.00           O  
HETATM   25  H1  UNL     1      -0.839  -2.850  -1.291  1.00  0.00           H  
HETATM   26  H2  UNL     1       0.261  -2.602  -2.721  1.00  0.00           H  
HETATM   27  H3  UNL     1      -1.564  -2.642  -2.903  1.00  0.00           H  
HETATM   28  H4  UNL     1      -0.070  -0.382  -2.787  1.00  0.00           H  
HETATM   29  H5  UNL     1      -2.146   0.743  -2.283  1.00  0.00           H  
HETATM   30  H6  UNL     1      -2.521  -0.727  -3.215  1.00  0.00           H  
HETATM   31  H7  UNL     1      -3.010  -1.883  -0.979  1.00  0.00           H  
HETATM   32  H8  UNL     1      -4.082  -0.475  -1.512  1.00  0.00           H  
HETATM   33  H9  UNL     1      -2.567   1.024  -0.151  1.00  0.00           H  
HETATM   34  H10 UNL     1      -2.487  -0.165   2.964  1.00  0.00           H  
HETATM   35  H11 UNL     1      -4.111   0.659   3.026  1.00  0.00           H  
HETATM   36  H12 UNL     1      -2.787   1.447   2.115  1.00  0.00           H  
HETATM   37  H13 UNL     1      -3.872  -1.766   2.393  1.00  0.00           H  
HETATM   38  H14 UNL     1      -4.875   1.478   0.624  1.00  0.00           H  
HETATM   39  H15 UNL     1      -5.471  -0.134  -0.063  1.00  0.00           H  
HETATM   40  H16 UNL     1      -5.692  -0.726   2.177  1.00  0.00           H  
HETATM   41  H17 UNL     1      -1.370  -1.543   0.937  1.00  0.00           H  
HETATM   42  H18 UNL     1      -0.933   0.134   1.309  1.00  0.00           H  
HETATM   43  H19 UNL     1       0.479  -1.412  -0.355  1.00  0.00           H  
HETATM   44  H20 UNL     1       1.976  -0.740  -0.022  1.00  0.00           H  
HETATM   45  H21 UNL     1       3.594   1.222   2.508  1.00  0.00           H  
HETATM   46  H22 UNL     1       4.841  -0.732   2.083  1.00  0.00           H  
HETATM   47  H23 UNL     1       3.810  -1.192   0.654  1.00  0.00           H  
HETATM   48  H24 UNL     1       3.251  -2.178   2.784  1.00  0.00           H  
HETATM   49  H25 UNL     1       5.179   0.678   0.230  1.00  0.00           H  
HETATM   50  H26 UNL     1       5.969   2.085   1.595  1.00  0.00           H  
HETATM   51  H27 UNL     1       3.101   2.824  -0.477  1.00  0.00           H  
HETATM   52  H28 UNL     1       4.688   3.158  -1.822  1.00  0.00           H  
HETATM   53  H29 UNL     1       3.521  -0.040  -1.419  1.00  0.00           H  
HETATM   54  H30 UNL     1       1.989   2.200  -2.221  1.00  0.00           H  
CONECT    1    2   25   26   27
CONECT    2    3   12   28
CONECT    3    4   29   30
CONECT    4    5   31   32
CONECT    5    6   11   33
CONECT    6    7    8    9
CONECT    7   34   35   36
CONECT    8   37
CONECT    9   10   38   39
CONECT   10   40
CONECT   11   12   41   42
CONECT   12   13   43
CONECT   13   14
CONECT   14   15   23   44
CONECT   15   16
CONECT   16   17   19   45
CONECT   17   18   46   47
CONECT   18   48
CONECT   19   20   21   49
CONECT   20   50
CONECT   21   22   23   51
CONECT   22   52
CONECT   23   24   53
CONECT   24   54
END

HMDB0039977
     RDKit          3D
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside
 54 55  0  0  0  0  0  0  0  0999 V2000
   -0.6947   -2.3317   -2.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7119   -0.8379   -1.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1124   -0.3654   -2.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0771   -0.7938   -1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6167   -0.0805    0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6423   -0.2542    1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1933    0.4696    2.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8906   -1.5964    1.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9596    0.3875    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8052    0.2167    1.8856 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2538   -0.5281    0.4504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2374   -0.5735   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5470    0.5819   -0.5139 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8552    0.3465   -0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1973    0.9652    1.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4638    0.7674    1.4863 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7993   -0.6986    1.6379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282   -1.2752    2.5270 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    1.4636    0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1199    2.4954    1.2338 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    1.9219   -0.6387 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7033    2.1809   -1.6264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8546    0.8070   -1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2953    1.2672   -2.3453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390   -2.8502   -1.2906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2606   -2.6015   -2.7208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5640   -2.6422   -2.9031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704   -0.3815   -2.7870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.7431   -2.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -0.7267   -3.2152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102   -1.8828   -0.9787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   -0.4751   -1.5122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5666    1.0238   -0.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4872   -0.1654    2.9642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1108    0.6593    3.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7873    1.4471    2.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8718   -1.7663    2.3926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751    1.4783    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4709   -0.1340   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6917   -0.7264    2.1765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -1.5428    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9334    0.1335    1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.4116   -0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9759   -0.7397   -0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5940    1.2217    2.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8407   -0.7319    2.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100   -1.1915    0.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2509   -2.1780    2.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1790    0.6783    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9687    2.0849    1.5949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011    2.8241   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6884    3.1584   -1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207   -0.0403   -1.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9890    2.2001   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12  2  1  0
 23 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  7 34  1  0
  7 35  1  0
  7 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 18 48  1  0
 19 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 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-{[5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-{[5-(1,2-dihydroxypropan-2-yl)-2-methylcyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

378254-07-0

SMILES

CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO

InChI Identifier

InChI=1S/C16H30O8/c1-8-3-4-9(16(2,22)7-18)5-10(8)23-15-14(21)13(20)12(19)11(6-17)24-15/h8-15,17-22H,3-7H2,1-2H3

InChI Key

SNALOKSNSOHGKY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as terpene glycosides. These are prenol lipids containing a carbohydrate moiety glycosidically bound to a terpene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Terpene glycosides

Direct Parent

Terpene glycosides

Alternative Parents

Substituents

Terpene glycoside
Glycosyl compound
O-glycosyl compound
Monocyclic monoterpenoid
Monoterpenoid
P-menthane monoterpenoid
Monosaccharide
Oxane
Tertiary alcohol
Secondary alcohol
Polyol
Organoheterocyclic compound
Oxacycle
Acetal
Primary alcohol
Alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039977)

Source

Endogenous

Endogenous (HMDB: HMDB0039977)

Plant

Plant (HMDB: HMDB0039977)

Animal

Animal (HMDB: HMDB0039977)

Exogenous

Food

Food (HMDB: HMDB0039977)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Fat and oil

Fats and oils (FooDB: FOOD00864)

Exogenous (HMDB: HMDB0039977)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0039977)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0039977)

Lipid metabolism pathway (HMDB: HMDB0039977)

Cellular process

Cell signaling (HMDB: HMDB0039977)

Biochemical process

Lipid transport (HMDB: HMDB0039977)

Role

Biological role

Energy source (HMDB: HMDB0039977)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0039977)

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	27.2 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-1.5	ChemAxon
logS	-1.1	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	83.16 m³·mol⁻¹	ChemAxon
Polarizability	36.54 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]+	180.745	31661259
DarkChem	[M-H]-	174.818	31661259
DeepCCS	[M+H]+	183.523	30932474
DeepCCS	[M-H]-	181.165	30932474
DeepCCS	[M-2H]-	214.051	30932474
DeepCCS	[M+Na]+	189.636	30932474
AllCCS	[M+H]+	185.1	32859911
AllCCS	[M+H-H2O]+	182.4	32859911
AllCCS	[M+NH4]+	187.7	32859911
AllCCS	[M+Na]+	188.4	32859911
AllCCS	[M-H]-	183.2	32859911
AllCCS	[M+Na-2H]-	183.7	32859911
AllCCS	[M+HCOO]-	184.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside	CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO	3020.5	Standard polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside	CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO	2857.6	Standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside	CC1CCC(CC1OC1OC(CO)C(O)C(O)C1O)C(C)(O)CO	2899.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #1	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2934.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #2	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2927.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #3	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2911.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #4	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2923.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #5	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	2980.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TMS,isomer #6	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	2955.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #1	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2939.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #10	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2919.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #11	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2890.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #12	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2882.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2915.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2891.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #15	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	2922.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #2	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2905.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #3	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2898.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #4	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2884.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #5	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2895.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #6	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2927.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2908.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #8	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2883.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TMS,isomer #9	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2869.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	2849.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #10	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2811.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #11	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2857.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #12	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2895.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2889.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2840.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #15	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2839.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #16	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2839.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #17	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2850.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #18	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2885.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #19	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2830.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #2	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2890.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #20	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2846.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #3	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2889.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #4	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2883.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #5	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2835.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #6	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2823.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2824.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #8	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2831.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,isomer #9	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2826.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2821.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #10	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2783.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #11	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2795.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #12	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2805.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2817.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2745.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #15	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2771.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #2	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2781.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #3	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2806.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #4	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2843.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #5	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2831.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #6	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2817.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2748.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #8	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2744.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TMS,isomer #9	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2720.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2746.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #2	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2745.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #3	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2717.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #4	CC1CCC(C(C)(CO)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2741.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #5	CC1CCC(C(C)(O)CO[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2658.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,5TMS,isomer #6	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2705.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,6TMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C)O[Si](C)(C)C)CC1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2695.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #1	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3159.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #2	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3173.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #3	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3170.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #4	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3167.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #5	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	3224.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,1TBDMS,isomer #6	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	3178.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #1	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3385.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #10	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3392.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #11	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3348.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #12	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3322.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3377.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3334.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #15	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O	3389.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #2	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3330.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #3	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3323.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #4	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3314.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #5	CC1CCC(C(C)(O)CO)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3304.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #6	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3399.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3359.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #8	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3318.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,2TBDMS,isomer #9	CC1CCC(C(C)(O)CO)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3314.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3524.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #10	CC1CCC(C(C)(O)CO)CC1OC1OC(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	3450.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #11	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3535.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #12	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3554.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3545.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3495.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #15	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3490.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #16	CC1CCC(C(C)(O)CO)CC1OC1OC(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	3453.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #17	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3520.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #18	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3554.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #19	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3500.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #2	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3551.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #20	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3516.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #3	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3552.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #4	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3535.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #5	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3493.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #6	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3497.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3475.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #8	CC1CCC(C(C)(O)CO)CC1OC1OC(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	3458.9	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TBDMS,isomer #9	CC1CCC(C(C)(O)CO)CC1OC1OC(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	3451.3	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #1	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3699.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #10	CC1CCC(C(C)(O)CO)CC1OC1OC(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	3618.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #11	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3690.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #12	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3688.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #13	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3706.8	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #14	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3641.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #15	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3687.1	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #2	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3696.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #3	CC1CCC(C(C)(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)CC1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3683.5	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #4	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3726.4	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #5	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3722.0	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #6	CC1CCC(C(C)(CO)O[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3715.2	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #7	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3670.7	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #8	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3666.6	Semi standard non polar	33892256
(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,4TBDMS,isomer #9	CC1CCC(C(C)(O)CO[Si](C)(C)C(C)(C)C)CC1OC1OC(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	3662.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-05rr-9347000000-296c82cbd6259190ac0a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (4 TMS) - 70eV, Positive	splash10-00di-4231049000-19b536687db091fe13e7	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_3_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_4_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_4_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_4_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_5_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_5_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_5_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TMS_6_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TBDMS_3_4) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TBDMS_4_3) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TBDMS_4_5) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS (TBDMS_4_6) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside GC-MS ("(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside,3TMS,#4" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 10V, Positive-QTOF	splash10-0fer-0905000000-1fe6a1f7cf6e9e9b84e0	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 20V, Positive-QTOF	splash10-00dr-1900000000-a1605bf0a4a4a4f510c5	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 40V, Positive-QTOF	splash10-05g0-4900000000-ceda539a77ee7a220847	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 10V, Negative-QTOF	splash10-00kk-0819000000-8e315c41f3a578d8cc1e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 20V, Negative-QTOF	splash10-06ri-1912000000-ca21a0beb2f3218ed33a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 40V, Negative-QTOF	splash10-0a4i-3900000000-459d9742ad2331ff0767	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 10V, Negative-QTOF	splash10-0002-0009000000-d98a20bc21a1b8963acf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 20V, Negative-QTOF	splash10-05mt-5917000000-4819a8c2615a2d8e5d3d	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 40V, Negative-QTOF	splash10-052f-9401000000-b8614d0d901b60260358	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 10V, Positive-QTOF	splash10-0udi-0509000000-0b49a0de0b2d9e0a5cd6	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 20V, Positive-QTOF	splash10-0udj-7912000000-8670fc2b3968d6b26053	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside 40V, Positive-QTOF	splash10-016r-6920000000-fa09499341cfba27a220	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
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

FDB019652

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

73075552

PDB ID

Not Available

ChEBI ID

168610

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside (HMDB0039977)

MOL for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

3D MOL for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

3D SDF for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

3D-SDF for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

PDB for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

3D PDB for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

SMILES for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

INCHI for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

Structure for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

3D Structure for HMDB0039977 ((1S,2R,4R,8S)-p-Menthane-2,8,9-triol 2-glucoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra