Hmdb loader

Showing metabocard for 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] (HMDB0037108)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:21:09 UTC
Update Date2022-03-07 02:55:11 UTC
HMDB IDHMDB0037108
Secondary Accession Numbers
  • HMDB37108
Metabolite Identification
Common Name3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]
Description3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] has been detected, but not quantified in, herbs and spices. This could make 3-hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside].
Structure
Data?1563862978
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])


  Mrv0541 05061309342D          

 32 34  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    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
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    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
    2.8579    3.3000    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
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   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
    0.0000   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
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 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
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 31 12  1  0  0  0  0
 31 21  1  0  0  0  0
 32 13  1  0  0  0  0
 32 21  1  0  0  0  0
M  END
Download

3D MOL for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

HMDB0037108
     RDKit          3D
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]
 62 64  0  0  0  0  0  0  0  0999 V2000
    9.2097    3.0468   -0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8707    2.3496   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4184    1.7540    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    1.0707    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    0.9750   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.3071   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732   -0.2846    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151   -0.9583    1.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -1.1910    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224   -0.6412    0.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8468   -1.2251    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -0.2174    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279   -0.8782   -0.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461   -0.0911   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637    0.0744   -1.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6764    1.1224   -1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228    2.3568   -2.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1941    1.4953   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4092    2.1647   -0.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850    0.2886    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5304   -0.4759    0.2107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2741   -0.5800    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7056   -0.4402    2.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -1.8177   -1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832   -2.1300   -1.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074   -3.0584   -0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -3.5745   -2.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3487   -2.6943   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -3.2632    1.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5544   -0.1972    1.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082   -0.7921    3.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503    0.4677    1.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9992    4.0255   -1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7129   -0.7411   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0797    0.2547    1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.5096    0.8402   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5498    2.1315   -3.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3082   -3.0386   -0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8418   -0.7231    3.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4112    0.5166    2.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
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 11 24  1  0
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  7 30  1  0
 30 31  1  0
 30 32  2  0
 32  4  1  0
 28  9  1  0
 22 14  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  5 38  1  0
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 27 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 32 62  1  0
M  END
Download

3D SDF for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])


  Mrv0541 05061309342D          

 32 34  0  0  0  0            999 V2000
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    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
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    9.4875    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
    2.8579    3.3000    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
    0.7145    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    4.9500    0.0000 C   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
    0.0000   10.7250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    8.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  6  5  2  0  0  0  0
  9  2  1  0  0  0  0
 10  4  1  0  0  0  0
 10  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11  7  1  0  0  0  0
 12  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21 19  1  0  0  0  0
 22 11  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  1  0  0  0  0
 27 18  1  0  0  0  0
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 29  8  1  0  0  0  0
 29 20  1  0  0  0  0
 30  9  1  0  0  0  0
 30 20  1  0  0  0  0
 31 12  1  0  0  0  0
 31 21  1  0  0  0  0
 32 13  1  0  0  0  0
 32 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037108

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+

> <INCHI_KEY>
ORYDHHXIZWIIQT-ONEGZZNKSA-N

> <FORMULA>
C21H30O11

> <MOLECULAR_WEIGHT>
458.4563

> <EXACT_MASS>
458.178811802

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
46.051542353720876

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <ALOGPS_LOGP>
-0.31

> <JCHEM_LOGP>
-0.5025415369999989

> <ALOGPS_LOGS>
-1.77

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.913981749366817

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.699938208102804

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121823516836606

> <JCHEM_POLAR_SURFACE_AREA>
178.52999999999997

> <JCHEM_REFRACTIVITY>
108.39359999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.71e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

HMDB0037108
     RDKit          3D
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]
 62 64  0  0  0  0  0  0  0  0999 V2000
    9.2097    3.0468   -0.5574 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8707    2.3496   -0.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4184    1.7540    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1436    1.0707    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680    0.9750   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0448    0.3071   -0.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732   -0.2846    0.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5151   -0.9583    1.0499 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4748   -1.1910    0.1476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3224   -0.6412    0.7117 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8468   -1.2251    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -0.2174    0.3112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1279   -0.8782   -0.1184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2461   -0.0911   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7637    0.0744   -1.4385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6764    1.1224   -1.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0228    2.3568   -2.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1941    1.4953   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4092    2.1647   -0.3270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4850    0.2886    0.7230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5304   -0.4759    0.2107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2741   -0.5800    0.8223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7056   -0.4402    2.1019 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6584   -1.8177   -1.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8832   -2.1300   -1.6639 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2074   -3.0584   -0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -3.5745   -2.1335 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3487   -2.6943   -0.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1225   -3.2632    1.2366 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5544   -0.1972    1.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082   -0.7921    3.1385 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7503    0.4677    1.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9992    4.0255   -1.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9112    2.4466   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5214    3.2918    0.4589 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2903    2.3562   -1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0670    1.7900    1.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4997    1.4171   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3818    0.2526   -1.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7129   -0.7411   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616   -2.0743    0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7627    0.5745   -0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0797    0.2547    1.2923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9494    0.9431    0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5096    0.8402   -2.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2935    2.8207   -1.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8088    3.1182   -2.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5498    2.1315   -3.0607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5313    2.2112    0.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8836    1.6619   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7640    0.6422    1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3837   -0.7106   -0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4988   -1.6450    0.6034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9732   -1.1767    2.6815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0819   -1.1114   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -3.1165   -1.6583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615   -3.8320   -0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5942   -3.5047   -2.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3082   -3.0386   -0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0724   -2.5834    1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8418   -0.7231    3.9005 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4112    0.5166    2.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  7 30  1  0
 30 31  1  0
 30 32  2  0
 32  4  1  0
 28  9  1  0
 22 14  1  0
  1 33  1  0
  1 34  1  0
  1 35  1  0
  2 36  1  0
  3 37  1  0
  5 38  1  0
  6 39  1  0
  9 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 14 44  1  0
 16 45  1  0
 17 46  1  0
 17 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 24 55  1  0
 25 56  1  0
 26 57  1  0
 27 58  1  0
 28 59  1  0
 29 60  1  0
 31 61  1  0
 32 62  1  0
M  END
Download

PDB for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

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       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667  18.480   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  17.710   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  18.480   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334  17.710   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.334  16.170   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000  15.400   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000  20.020   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -1.334  11.550   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -2.667  18.480   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -1.334   8.470   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -2.667  15.400   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  13.860   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.334  16.170   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001   8.470   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667  10.780   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2    9                                                            
CONECT    3    1    4                                                       
CONECT    4    3   10                                                       
CONECT    5    6   10                                                       
CONECT    6    5   12                                                       
CONECT    7   10   11                                                       
CONECT    8   13   29                                                       
CONECT    9    2   14   30                                                  
CONECT   10    4    5    7                                                  
CONECT   11    7   12   22                                                  
CONECT   12    6   11   31                                                  
CONECT   13    8   15   32                                                  
CONECT   14    9   16   23                                                  
CONECT   15   13   17   24                                                  
CONECT   16   14   18   25                                                  
CONECT   17   15   19   26                                                  
CONECT   18   16   20   27                                                  
CONECT   19   17   21   28                                                  
CONECT   20   18   29   30                                                  
CONECT   21   19   31   32                                                  
CONECT   22   11                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
CONECT   26   17                                                            
CONECT   27   18                                                            
CONECT   28   19                                                            
CONECT   29    8   20                                                       
CONECT   30    9   20                                                       
CONECT   31   12   21                                                       
CONECT   32   13   21                                                       
MASTER        0    0    0    0    0    0    0    0   32    0   68    0
END
Download

3D PDB for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

COMPND    HMDB0037108
HETATM    1  C1  UNL     1       9.210   3.047  -0.557  1.00  0.00           C  
HETATM    2  C2  UNL     1       7.871   2.350  -0.542  1.00  0.00           C  
HETATM    3  C3  UNL     1       7.418   1.754   0.523  1.00  0.00           C  
HETATM    4  C4  UNL     1       6.144   1.071   0.596  1.00  0.00           C  
HETATM    5  C5  UNL     1       5.268   0.975  -0.456  1.00  0.00           C  
HETATM    6  C6  UNL     1       4.045   0.307  -0.350  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.673  -0.285   0.828  1.00  0.00           C  
HETATM    8  O1  UNL     1       2.515  -0.958   1.050  1.00  0.00           O  
HETATM    9  C8  UNL     1       1.475  -1.191   0.148  1.00  0.00           C  
HETATM   10  O2  UNL     1       0.322  -0.641   0.712  1.00  0.00           O  
HETATM   11  C9  UNL     1      -0.847  -1.225   0.296  1.00  0.00           C  
HETATM   12  C10 UNL     1      -1.989  -0.217   0.311  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.128  -0.878  -0.118  1.00  0.00           O  
HETATM   14  C11 UNL     1      -4.246  -0.091  -0.157  1.00  0.00           C  
HETATM   15  O4  UNL     1      -4.764   0.074  -1.439  1.00  0.00           O  
HETATM   16  C12 UNL     1      -5.676   1.122  -1.495  1.00  0.00           C  
HETATM   17  C13 UNL     1      -5.023   2.357  -2.081  1.00  0.00           C  
HETATM   18  C14 UNL     1      -6.194   1.495  -0.123  1.00  0.00           C  
HETATM   19  O5  UNL     1      -7.409   2.165  -0.327  1.00  0.00           O  
HETATM   20  C15 UNL     1      -6.485   0.289   0.723  1.00  0.00           C  
HETATM   21  O6  UNL     1      -7.530  -0.476   0.211  1.00  0.00           O  
HETATM   22  C16 UNL     1      -5.274  -0.580   0.822  1.00  0.00           C  
HETATM   23  O7  UNL     1      -4.706  -0.440   2.102  1.00  0.00           O  
HETATM   24  C17 UNL     1      -0.658  -1.818  -1.078  1.00  0.00           C  
HETATM   25  O8  UNL     1      -1.883  -2.130  -1.664  1.00  0.00           O  
HETATM   26  C18 UNL     1       0.207  -3.058  -0.919  1.00  0.00           C  
HETATM   27  O9  UNL     1       0.619  -3.575  -2.134  1.00  0.00           O  
HETATM   28  C19 UNL     1       1.349  -2.694  -0.007  1.00  0.00           C  
HETATM   29  O10 UNL     1       1.122  -3.263   1.237  1.00  0.00           O  
HETATM   30  C20 UNL     1       4.554  -0.197   1.912  1.00  0.00           C  
HETATM   31  O11 UNL     1       4.208  -0.792   3.139  1.00  0.00           O  
HETATM   32  C21 UNL     1       5.750   0.468   1.774  1.00  0.00           C  
HETATM   33  H1  UNL     1       8.999   4.026  -1.073  1.00  0.00           H  
HETATM   34  H2  UNL     1       9.911   2.447  -1.139  1.00  0.00           H  
HETATM   35  H3  UNL     1       9.521   3.292   0.459  1.00  0.00           H  
HETATM   36  H4  UNL     1       7.290   2.356  -1.445  1.00  0.00           H  
HETATM   37  H5  UNL     1       8.067   1.790   1.405  1.00  0.00           H  
HETATM   38  H6  UNL     1       5.500   1.417  -1.406  1.00  0.00           H  
HETATM   39  H7  UNL     1       3.382   0.253  -1.199  1.00  0.00           H  
HETATM   40  H8  UNL     1       1.713  -0.741  -0.825  1.00  0.00           H  
HETATM   41  H9  UNL     1      -1.062  -2.074   0.982  1.00  0.00           H  
HETATM   42  H10 UNL     1      -1.763   0.575  -0.432  1.00  0.00           H  
HETATM   43  H11 UNL     1      -2.080   0.255   1.292  1.00  0.00           H  
HETATM   44  H12 UNL     1      -3.949   0.943   0.185  1.00  0.00           H  
HETATM   45  H13 UNL     1      -6.510   0.840  -2.145  1.00  0.00           H  
HETATM   46  H14 UNL     1      -4.294   2.821  -1.368  1.00  0.00           H  
HETATM   47  H15 UNL     1      -5.809   3.118  -2.273  1.00  0.00           H  
HETATM   48  H16 UNL     1      -4.550   2.132  -3.061  1.00  0.00           H  
HETATM   49  H17 UNL     1      -5.531   2.211   0.397  1.00  0.00           H  
HETATM   50  H18 UNL     1      -7.884   1.662  -1.036  1.00  0.00           H  
HETATM   51  H19 UNL     1      -6.764   0.642   1.737  1.00  0.00           H  
HETATM   52  H20 UNL     1      -7.384  -0.711  -0.730  1.00  0.00           H  
HETATM   53  H21 UNL     1      -5.499  -1.645   0.603  1.00  0.00           H  
HETATM   54  H22 UNL     1      -4.973  -1.177   2.682  1.00  0.00           H  
HETATM   55  H23 UNL     1      -0.082  -1.111  -1.718  1.00  0.00           H  
HETATM   56  H24 UNL     1      -1.957  -3.117  -1.658  1.00  0.00           H  
HETATM   57  H25 UNL     1      -0.462  -3.832  -0.446  1.00  0.00           H  
HETATM   58  H26 UNL     1       1.594  -3.505  -2.286  1.00  0.00           H  
HETATM   59  H27 UNL     1       2.308  -3.039  -0.456  1.00  0.00           H  
HETATM   60  H28 UNL     1       1.072  -2.583   1.963  1.00  0.00           H  
HETATM   61  H29 UNL     1       4.842  -0.723   3.900  1.00  0.00           H  
HETATM   62  H30 UNL     1       6.411   0.517   2.636  1.00  0.00           H  
CONECT    1    2   33   34   35
CONECT    2    3    3   36
CONECT    3    4   37
CONECT    4    5    5   32
CONECT    5    6   38
CONECT    6    7    7   39
CONECT    7    8   30
CONECT    8    9
CONECT    9   10   28   40
CONECT   10   11
CONECT   11   12   24   41
CONECT   12   13   42   43
CONECT   13   14
CONECT   14   15   22   44
CONECT   15   16
CONECT   16   17   18   45
CONECT   17   46   47   48
CONECT   18   19   20   49
CONECT   19   50
CONECT   20   21   22   51
CONECT   21   52
CONECT   22   23   53
CONECT   23   54
CONECT   24   25   26   55
CONECT   25   56
CONECT   26   27   28   57
CONECT   27   58
CONECT   28   29   59
CONECT   29   60
CONECT   30   31   32   32
CONECT   31   61
CONECT   32   62
END
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SMILES for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C1
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INCHI for HMDB0037108 (3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside])

InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+
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SynonymsNot Available
Chemical FormulaC21H30O11
Average Molecular Weight458.4563
Monoisotopic Molecular Weight458.178811802
IUPAC Name2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
Traditional Name2-{2-hydroxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
CAS Registry Number267668-14-4
SMILES
C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C1
InChI Identifier
InChI=1S/C21H30O11/c1-3-4-10-5-6-12(11(22)7-10)31-21-19(28)17(26)15(24)13(32-21)8-29-20-18(27)16(25)14(23)9(2)30-20/h3-7,9,13-28H,8H2,1-2H3/b4-3+
InChI KeyORYDHHXIZWIIQT-ONEGZZNKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenolic glycosides. These are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentPhenolic glycosides
Alternative Parents
Substituents
  • Phenolic glycoside
  • Disaccharide
  • O-glycosyl compound
  • Phenoxy compound
  • Styrene
  • Phenol ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Oxane
  • Secondary alcohol
  • Acetal
  • Organoheterocyclic compound
  • Oxacycle
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility7.71 g/LALOGPS
logP-0.31ALOGPS
logP-0.5ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)9.7ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area178.53 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity108.39 m³·mol⁻¹ChemAxon
Polarizability46.05 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+205.5130932474
DeepCCS[M-H]-203.15330932474
DeepCCS[M-2H]-236.45230932474
DeepCCS[M+Na]+211.67930932474
AllCCS[M+H]+209.532859911
AllCCS[M+H-H2O]+207.532859911
AllCCS[M+NH4]+211.332859911
AllCCS[M+Na]+211.832859911
AllCCS[M-H]-199.932859911
AllCCS[M+Na-2H]-201.032859911
AllCCS[M+HCOO]-202.432859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.3.37 minutes32390414
Predicted by Siyang on May 30, 202210.6693 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.05 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid225.8 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1556.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid191.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid86.2 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid173.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid62.2 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid326.2 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid339.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)343.8 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid694.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid349.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid894.0 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid213.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid234.5 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate381.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA367.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water61.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C15270.7Standard polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C14063.3Standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside]C\C=C\C1=CC(O)=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C=C13873.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13836.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C(O)=C13805.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C(O)=C13762.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O)=C13786.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13814.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13783.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13812.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13799.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13759.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13782.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O)=C13761.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13750.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13725.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13746.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13765.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13736.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13770.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13771.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13751.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13783.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13779.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13777.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13804.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13771.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13814.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C(O)=C13747.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O)=C13745.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13781.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13719.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13756.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13718.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13771.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13749.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13770.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13769.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O)=C13727.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13706.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13665.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13710.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13728.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13722.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13690.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #22C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13726.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #23C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13724.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #24C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13749.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #25C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13742.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #26C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13736.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #27C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13696.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #28C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13741.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #29C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13675.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13779.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #30C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13711.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #31C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13693.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #32C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13711.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #33C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13741.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #34C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13732.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #35C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13788.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13739.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13789.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13747.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13733.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13698.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13736.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=C13680.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13703.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13670.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13628.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13685.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13621.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13669.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13639.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13657.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13708.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13680.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13662.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13743.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)=C13656.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #22C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)=C13606.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #23C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)=C13671.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #24C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13600.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #25C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13655.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #26C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13619.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #27C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13622.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #28C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13674.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #29C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13644.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13617.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #30C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13715.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #31C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13599.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #32C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13656.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #33C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13620.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #34C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13645.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #35C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13693.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13677.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13677.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13637.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13692.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13682.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],4TMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13729.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=C13631.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13696.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13599.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13627.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13606.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13632.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13663.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=C13577.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=C13612.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13592.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13597.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13599.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13615.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13594.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13647.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13608.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13630.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13617.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13610.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13637.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],5TMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13624.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=C13621.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13630.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13624.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13633.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13622.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=C13624.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],6TMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=C13589.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14081.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C(O)=C14077.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C(O)=C14033.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)=C14047.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14078.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14054.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],1TBDMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14079.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14232.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14197.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14216.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)=C14178.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14176.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14157.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14165.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14180.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14157.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14181.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14198.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14176.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14224.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C14203.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14194.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14231.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C14201.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14237.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C(O)=C14173.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)=C14171.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],2TBDMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14219.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #1C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14317.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #10C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14314.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #11C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C14305.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #12C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14323.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #13C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C14353.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #14C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14387.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #15C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14367.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #16C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)=C14317.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #17C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14312.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #18C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14306.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #19C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14310.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #2C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14309.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #20C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14308.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #21C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14299.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #22C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14304.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #23C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14330.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #24C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14359.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #25C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C14343.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #26C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=C14318.9Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #27C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14313.4Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #28C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14313.7Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #29C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=C14312.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #3C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14352.6Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #30C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14336.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #31C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C14319.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #32C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[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)C2O)C(O)=C14298.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #33C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=C14324.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #34C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C14308.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #35C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O)C3O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=C14381.0Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #4C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C14337.3Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #5C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14360.2Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #6C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14327.1Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #7C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=C14318.8Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #8C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=C14312.5Semi standard non polar33892256
3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside],3TBDMS,isomer #9C/C=C/C1=CC=C(OC2OC(COC3OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C14318.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, Positivesplash10-002g-9674800000-795c30c5c0662733c14f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-5344109000-7a3cf3ada891fed20e972017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 10V, Positive-QTOFsplash10-0udi-0910500000-ed8f2bc165f8affa92d62016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 20V, Positive-QTOFsplash10-0udi-0900000000-7a471e42bde09033a2022016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 40V, Positive-QTOFsplash10-0udl-3900000000-e1559d3d187fdadc682e2016-08-02Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 10V, Negative-QTOFsplash10-052b-3923600000-a28d22fbe68d894af2ef2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 20V, Negative-QTOFsplash10-0002-2900000000-57355bdf4e478be257df2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 40V, Negative-QTOFsplash10-0002-2900000000-41750b57fb0d460c19872016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 10V, Negative-QTOFsplash10-0a4i-0201900000-776062d7a4a8013222fb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 20V, Negative-QTOFsplash10-07c2-2904500000-a68b10bb0a242c516a082021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 40V, Negative-QTOFsplash10-00di-3901000000-13934f56ba5b1f4eccb12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 10V, Positive-QTOFsplash10-0ue9-0900200000-58f4ec62631b965deaa62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 20V, Positive-QTOFsplash10-01q9-0902100000-ae0ecbab0b632b38817c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3-Hydroxychavicol 1-[rhamnosyl-(1->6)-glucoside] 40V, Positive-QTOFsplash10-0159-2900000000-183e699e6eb57d0bc0f62021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB016101
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752154
PDB IDNot Available
ChEBI ID167976
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .