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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 19:11:02 UTC

Update Date

2022-03-07 02:54:04 UTC

HMDB ID

HMDB0034360

Secondary Accession Numbers

HMDB34360

Metabolite Identification

Common Name

Myricitrin

Description

Myricetin 3-rhamnoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-rhamnoside is found, on average, in the highest concentration within highbush blueberries (Vaccinium corymbosum) and lentils (Lens culinaris). Myricetin 3-rhamnoside has also been detected, but not quantified in, several different foods, such as black walnuts (Juglans nigra), common grapes (Vitis vinifera), rubus (blackberry, raspberry), common hazelnuts (Corylus avellana), and sapodillas (Manilkara zapota). This could make myricetin 3-rhamnoside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Myricetin 3-rhamnoside.

Structure

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

  Mrv0541 05061307452D          

 33 36  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    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   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31  6  1  0  0  0  0
 31 21  1  0  0  0  0
 32 12  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 33 21  1  0  0  0  0
M  END

HMDB0257785
     RDKit          3D
3,3',4',5,5',7-Hexahydroxyflavone 3-O-Rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    1.3884   -2.8393   -1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466   -2.8305   -2.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.7101   -1.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404   -1.4832   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050   -0.2296   -0.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    0.9598   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    1.5513    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423    1.0542    2.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    1.6093    2.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.2311    4.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    1.8057    5.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544    0.2733    4.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -0.1255    6.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -0.2978    3.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -1.2543    4.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.1147    2.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    2.6955    0.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    3.2326   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    4.4075   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    5.0061   -2.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    6.1948   -2.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    4.4153   -3.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189    3.2384   -3.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    2.6207   -4.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232    2.6635   -1.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.5037   -1.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    0.9261   -2.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -2.5763    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -2.8905    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756   -3.8058   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085   -3.7322   -0.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434   -4.0552   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5309   -4.5711   -2.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205   -3.5003   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -1.8506   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -3.3516   -2.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -2.8754   -3.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2904   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    2.3636    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    2.5053    4.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -0.8174    6.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.6886    3.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -0.3197    2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    4.9230   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    7.0586   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    4.8612   -4.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    3.0695   -5.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510   -2.2341    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -2.5054    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -4.6718    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -3.3866   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -4.8243   -1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -4.5674   -3.5124 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
  7 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  4 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  2  1  0
 26  6  1  0
 16  8  1  0
 25 18  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  0
 13 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
M  END

  Mrv0541 05061307452D          

 33 36  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    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
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    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   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  1  1  0  0  0  0
  7  2  2  0  0  0  0
  7  3  1  0  0  0  0
  8  4  2  0  0  0  0
  8  5  1  0  0  0  0
  9  4  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  2  0  0  0  0
 12  5  2  0  0  0  0
 13  9  2  0  0  0  0
 13 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 15 11  1  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19  7  1  0  0  0  0
 20 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 18  1  0  0  0  0
 22  8  1  0  0  0  0
 23  9  1  0  0  0  0
 24 10  1  0  0  0  0
 25 11  1  0  0  0  0
 26 14  1  0  0  0  0
 27 15  1  0  0  0  0
 28 16  2  0  0  0  0
 29 17  1  0  0  0  0
 30 18  1  0  0  0  0
 31  6  1  0  0  0  0
 31 21  1  0  0  0  0
 32 12  1  0  0  0  0
 32 19  1  0  0  0  0
 33 20  1  0  0  0  0
 33 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034360

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3

> <INCHI_KEY>
DCYOADKBABEMIQ-UHFFFAOYSA-N

> <FORMULA>
C21H20O12

> <MOLECULAR_WEIGHT>
464.3763

> <EXACT_MASS>
464.095476104

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
43.4311575186978

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

> <ALOGPS_LOGP>
1.18

> <JCHEM_LOGP>
0.5985093490000001

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.077434843151924

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.428092628339841

> <JCHEM_PKA_STRONGEST_BASIC>
-3.612200408172593

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999997

> <JCHEM_REFRACTIVITY>
109.71269999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
myricitrin

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0257785
     RDKit          3D
3,3',4',5,5',7-Hexahydroxyflavone 3-O-Rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    1.3884   -2.8393   -1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466   -2.8305   -2.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.7101   -1.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404   -1.4832   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050   -0.2296   -0.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    0.9598   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    1.5513    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423    1.0542    2.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    1.6093    2.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.2311    4.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    1.8057    5.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544    0.2733    4.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -0.1255    6.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -0.2978    3.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -1.2543    4.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.1147    2.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    2.6955    0.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    3.2326   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    4.4075   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    5.0061   -2.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    6.1948   -2.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    4.4153   -3.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189    3.2384   -3.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    2.6207   -4.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232    2.6635   -1.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.5037   -1.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    0.9261   -2.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -2.5763    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -2.8905    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756   -3.8058   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085   -3.7322   -0.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434   -4.0552   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5309   -4.5711   -2.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205   -3.5003   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -1.8506   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -3.3516   -2.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -2.8754   -3.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2904   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    2.3636    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    2.5053    4.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -0.8174    6.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.6886    3.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -0.3197    2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    4.9230   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    7.0586   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    4.8612   -4.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    3.0695   -5.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510   -2.2341    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -2.5054    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -4.6718    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -3.3866   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -4.8243   -1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -4.5674   -3.5124 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
  7 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  4 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  2  1  0
 26  6  1  0
 16  8  1  0
 25 18  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  0
 13 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  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       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    6                                                            
CONECT    2    7   10                                                       
CONECT    3    7   11                                                       
CONECT    4    8    9                                                       
CONECT    5    8   12                                                       
CONECT    6    1   14   31                                                  
CONECT    7    2    3   19                                                  
CONECT    8    4    5   22                                                  
CONECT    9    4   13   23                                                  
CONECT   10    2   15   24                                                  
CONECT   11    3   15   25                                                  
CONECT   12    5   13   32                                                  
CONECT   13    9   12   16                                                  
CONECT   14    6   17   26                                                  
CONECT   15   10   11   27                                                  
CONECT   16   13   20   28                                                  
CONECT   17   14   18   29                                                  
CONECT   18   17   21   30                                                  
CONECT   19    7   20   32                                                  
CONECT   20   16   19   33                                                  
CONECT   21   18   31   33                                                  
CONECT   22    8                                                            
CONECT   23    9                                                            
CONECT   24   10                                                            
CONECT   25   11                                                            
CONECT   26   14                                                            
CONECT   27   15                                                            
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   18                                                            
CONECT   31    6   21                                                       
CONECT   32   12   19                                                       
CONECT   33   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0034360
HETATM    1  C1  UNL     1       4.795   0.069  -1.771  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.633  -0.442  -0.906  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.457   0.060  -1.354  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.584   0.499  -0.298  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.402   0.776  -1.024  1.00  0.00           O  
HETATM    6  C4  UNL     1      -0.682  -0.055  -1.093  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.746   0.054  -0.262  1.00  0.00           C  
HETATM    8  C6  UNL     1      -1.900   1.058   0.794  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.166   2.200   0.852  1.00  0.00           C  
HETATM   10  C8  UNL     1      -1.322   3.086   1.925  1.00  0.00           C  
HETATM   11  O3  UNL     1      -0.521   4.211   1.877  1.00  0.00           O  
HETATM   12  C9  UNL     1      -2.221   2.800   2.921  1.00  0.00           C  
HETATM   13  O4  UNL     1      -2.394   3.651   3.985  1.00  0.00           O  
HETATM   14  C10 UNL     1      -2.977   1.638   2.871  1.00  0.00           C  
HETATM   15  O5  UNL     1      -3.884   1.392   3.916  1.00  0.00           O  
HETATM   16  C11 UNL     1      -2.814   0.786   1.822  1.00  0.00           C  
HETATM   17  O6  UNL     1      -2.782  -0.797  -0.358  1.00  0.00           O  
HETATM   18  C12 UNL     1      -2.854  -1.764  -1.228  1.00  0.00           C  
HETATM   19  C13 UNL     1      -3.942  -2.620  -1.292  1.00  0.00           C  
HETATM   20  C14 UNL     1      -4.003  -3.637  -2.217  1.00  0.00           C  
HETATM   21  O7  UNL     1      -5.101  -4.483  -2.265  1.00  0.00           O  
HETATM   22  C15 UNL     1      -2.926  -3.760  -3.077  1.00  0.00           C  
HETATM   23  C16 UNL     1      -1.838  -2.916  -3.024  1.00  0.00           C  
HETATM   24  O8  UNL     1      -0.789  -3.063  -3.888  1.00  0.00           O  
HETATM   25  C17 UNL     1      -1.797  -1.904  -2.090  1.00  0.00           C  
HETATM   26  C18 UNL     1      -0.721  -1.084  -2.048  1.00  0.00           C  
HETATM   27  O9  UNL     1       0.266  -1.163  -2.804  1.00  0.00           O  
HETATM   28  C19 UNL     1       2.248   1.713   0.256  1.00  0.00           C  
HETATM   29  O10 UNL     1       2.643   2.600  -0.747  1.00  0.00           O  
HETATM   30  C20 UNL     1       3.542   1.251   0.936  1.00  0.00           C  
HETATM   31  O11 UNL     1       3.298   1.193   2.327  1.00  0.00           O  
HETATM   32  C21 UNL     1       3.963  -0.118   0.521  1.00  0.00           C  
HETATM   33  O12 UNL     1       3.484  -1.112   1.381  1.00  0.00           O  
HETATM   34  H1  UNL     1       5.601  -0.717  -1.824  1.00  0.00           H  
HETATM   35  H2  UNL     1       5.273   0.946  -1.307  1.00  0.00           H  
HETATM   36  H3  UNL     1       4.466   0.287  -2.793  1.00  0.00           H  
HETATM   37  H4  UNL     1       3.662  -1.552  -1.024  1.00  0.00           H  
HETATM   38  H5  UNL     1       1.524  -0.343   0.386  1.00  0.00           H  
HETATM   39  H6  UNL     1      -0.489   2.439   0.054  1.00  0.00           H  
HETATM   40  H7  UNL     1      -0.580   4.885   2.608  1.00  0.00           H  
HETATM   41  H8  UNL     1      -1.876   4.489   4.059  1.00  0.00           H  
HETATM   42  H9  UNL     1      -4.419   0.543   3.855  1.00  0.00           H  
HETATM   43  H10 UNL     1      -3.422  -0.121   1.811  1.00  0.00           H  
HETATM   44  H11 UNL     1      -4.732  -2.442  -0.579  1.00  0.00           H  
HETATM   45  H12 UNL     1      -5.156  -5.343  -1.734  1.00  0.00           H  
HETATM   46  H13 UNL     1      -2.983  -4.559  -3.798  1.00  0.00           H  
HETATM   47  H14 UNL     1      -0.814  -3.804  -4.573  1.00  0.00           H  
HETATM   48  H15 UNL     1       1.682   2.285   0.994  1.00  0.00           H  
HETATM   49  H16 UNL     1       2.053   2.573  -1.518  1.00  0.00           H  
HETATM   50  H17 UNL     1       4.315   2.031   0.811  1.00  0.00           H  
HETATM   51  H18 UNL     1       2.800   0.358   2.557  1.00  0.00           H  
HETATM   52  H19 UNL     1       5.076  -0.172   0.615  1.00  0.00           H  
HETATM   53  H20 UNL     1       4.077  -1.903   1.307  1.00  0.00           H  
CONECT    1    2   34   35   36
CONECT    2    3   32   37
CONECT    3    4
CONECT    4    5   28   38
CONECT    5    6
CONECT    6    7    7   26
CONECT    7    8   17
CONECT    8    9    9   16
CONECT    9   10   39
CONECT   10   11   12   12
CONECT   11   40
CONECT   12   13   14
CONECT   13   41
CONECT   14   15   16   16
CONECT   15   42
CONECT   16   43
CONECT   17   18
CONECT   18   19   19   25
CONECT   19   20   44
CONECT   20   21   22   22
CONECT   21   45
CONECT   22   23   46
CONECT   23   24   25   25
CONECT   24   47
CONECT   25   26
CONECT   26   27   27
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   32   50
CONECT   31   51
CONECT   32   33   52
CONECT   33   53
END

HMDB0257785
     RDKit          3D
3,3',4',5,5',7-Hexahydroxyflavone 3-O-Rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
    1.3884   -2.8393   -1.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0466   -2.8305   -2.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7621   -1.7101   -1.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6404   -1.4832   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3050   -0.2296   -0.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    0.9598   -0.2730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0614    1.5513    0.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1423    1.0542    2.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1025    1.6093    2.9562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.2311    4.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    1.8057    5.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3544    0.2733    4.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4452   -0.1255    6.0944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -0.2978    3.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -1.2543    4.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    0.1147    2.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7017    2.6955    0.4321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991    3.2326   -0.7492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    4.4075   -0.9816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3917    5.0061   -2.2345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    6.1948   -2.4331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7121    4.4153   -3.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0189    3.2384   -3.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6778    2.6207   -4.1246 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0232    2.6635   -1.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6410    1.5037   -1.5753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2787    0.9261   -2.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1876   -2.5763    0.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3299   -2.8905    1.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5756   -3.8058   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9085   -3.7322   -0.8037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7434   -4.0552   -1.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5309   -4.5711   -2.6419 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5205   -3.5003   -0.7923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8518   -1.8506   -1.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -3.3516   -2.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0285   -2.8754   -3.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4335   -1.2904   -0.2753 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7727    2.3636    2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8146    2.5053    4.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -0.8174    6.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1811   -1.6886    3.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4585   -0.3197    2.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9366    4.9230   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862    7.0586   -2.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7056    4.8612   -4.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6566    3.0695   -5.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1510   -2.2341    0.8762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5800   -2.5054    1.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003   -4.6718    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9907   -3.3866   -1.7291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350   -4.8243   -1.4091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0476   -4.5674   -3.5124 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
  7 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
  4 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32  2  1  0
 26  6  1  0
 16  8  1  0
 25 18  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  9 39  1  0
 11 40  1  0
 13 41  1  0
 15 42  1  0
 16 43  1  0
 19 44  1  0
 21 45  1  0
 22 46  1  0
 24 47  1  0
 28 48  1  0
 29 49  1  0
 30 50  1  0
 31 51  1  0
 32 52  1  0
 33 53  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside	HMDB
Myricetin 3-O-alpha-L-rhamnopyranoside	HMDB
Myricetin 3-O-alpha-L-rhamnoside	HMDB
Myricetin 3-O-L-rhamnoside	HMDB
Myricetin 3-O-rhamnoside	HMDB
Myricetin 3-rhamnoside	HMDB
Myricetin-3-O-alpha-L-rhamnoside	HMDB
Myricetol 3-rhamnoside	HMDB
Myricetrin	HMDB
Myricitrin (8ci)	HMDB
Myricitrine	HMDB
Myricitroside	HMDB
Rhamnoside,myricetin-3	HMDB

Chemical Formula

C₂₁H₂₀O₁₂

Average Molecular Weight

464.3763

Monoisotopic Molecular Weight

464.095476104

IUPAC Name

5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one

Traditional Name

myricitrin

CAS Registry Number

17912-87-7

SMILES

CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C21H20O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,17-18,21-27,29-30H,1H3

InChI Key

DCYOADKBABEMIQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

Flavonoid-3-o-glycoside
Hydroxyflavonoid
Flavone
7-hydroxyflavonoid
5-hydroxyflavonoid
4'-hydroxyflavonoid
3'-hydroxyflavonoid
Hexose monosaccharide
Chromone
Glycosyl compound
O-glycosyl compound
Benzopyran
1-benzopyran
Benzenetriol
Pyrogallol derivative
Phenol
1-hydroxy-4-unsubstituted benzenoid
Pyranone
1-hydroxy-2-unsubstituted benzenoid
Monocyclic benzene moiety
Benzenoid
Pyran
Monosaccharide
Oxane
Vinylogous acid
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Organic oxide
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	194 - 197 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.43 g/L	ALOGPS
logP	1.18	ALOGPS
logP	0.6	ChemAxon
logS	-2.3	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	109.71 m³·mol⁻¹	ChemAxon
Polarizability	43.43 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	200.495	30932474
DeepCCS	[M-H]-	198.099	30932474
DeepCCS	[M-2H]-	230.983	30932474
DeepCCS	[M+Na]+	206.408	30932474
AllCCS	[M+H]+	205.2	32859911
AllCCS	[M+H-H2O]+	202.8	32859911
AllCCS	[M+NH4]+	207.3	32859911
AllCCS	[M+Na]+	208.0	32859911
AllCCS	[M-H]-	203.1	32859911
AllCCS	[M+Na-2H]-	203.5	32859911
AllCCS	[M+HCOO]-	204.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Myricitrin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	6578.2	Standard polar	33892256
Myricitrin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4336.6	Standard non polar	33892256
Myricitrin	CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4439.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Myricitrin,1TMS,isomer #1	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4454.9	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4400.0	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4379.8	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4381.3	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4393.9	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4397.9	Semi standard non polar	33892256
Myricitrin,1TMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4408.5	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #1	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4348.6	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #10	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4305.0	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4327.3	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #12	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4307.1	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4262.3	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4288.1	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4278.1	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4301.4	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #17	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4279.8	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4260.6	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4284.9	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4324.6	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4323.4	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4324.2	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4332.5	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4377.8	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4360.9	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4349.7	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4370.2	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4321.5	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #8	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4307.8	Semi standard non polar	33892256
Myricitrin,2TMS,isomer #9	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4315.6	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #1	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4188.3	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #10	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4171.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4228.1	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #12	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4206.9	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4247.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4251.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4251.0	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4250.1	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #17	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4175.5	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4137.0	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4167.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4155.0	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4138.9	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4186.0	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4147.7	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #23	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4102.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #24	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4160.1	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #25	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4222.9	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #26	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4227.6	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #27	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4225.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #28	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4168.7	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #29	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4167.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4184.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #30	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4143.9	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #31	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4178.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #32	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4144.3	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #33	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4121.3	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #34	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4157.3	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #35	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4189.5	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #36	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4190.8	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #37	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4183.7	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #38	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4167.5	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #39	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4170.7	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4186.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #40	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4159.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #41	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4258.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4150.7	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4197.4	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4164.8	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #8	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4166.2	Semi standard non polar	33892256
Myricitrin,3TMS,isomer #9	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4116.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #1	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4090.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #10	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4069.4	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3989.8	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #12	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4072.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4080.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4105.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4089.8	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4029.8	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #17	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4029.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4057.9	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4035.9	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #2	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4042.9	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4053.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4045.6	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4158.0	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #23	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4176.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #24	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4169.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #25	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4210.0	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #26	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4056.4	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #27	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4045.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #28	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3977.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #29	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4052.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #3	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4075.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #30	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4026.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #31	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3959.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #32	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4030.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #33	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4058.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #34	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4079.6	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #35	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4074.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #36	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4015.5	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #37	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4036.6	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #38	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4026.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #39	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4182.8	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #4	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3990.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #40	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4096.9	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #41	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4054.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #42	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4107.0	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #43	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4061.1	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #44	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4087.0	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #45	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4076.3	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #46	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4051.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #47	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4070.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #48	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4062.2	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #49	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4130.9	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #5	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4073.5	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #50	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4103.8	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4022.4	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4058.7	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #8	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3983.4	Semi standard non polar	33892256
Myricitrin,4TMS,isomer #9	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4055.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #1	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	3990.4	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #10	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3987.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	3967.3	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #12	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3969.7	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	3991.4	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3977.5	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3991.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3984.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #17	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3974.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3987.4	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3978.7	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #2	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4032.1	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4051.7	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3977.9	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3994.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #23	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3998.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #24	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4019.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #25	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4121.2	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #26	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	3997.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #27	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3942.1	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #28	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	3995.1	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #29	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3950.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #3	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3974.4	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #30	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3965.4	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #31	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3960.5	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #32	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3948.3	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #33	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3963.3	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #34	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3958.6	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #35	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4028.2	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #36	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3997.6	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #37	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4032.0	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #38	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4045.2	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #39	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4038.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #4	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4031.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #40	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4044.5	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #41	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4043.2	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #5	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	3965.3	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #6	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3977.8	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #7	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	3987.7	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #8	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3977.6	Semi standard non polar	33892256
Myricitrin,5TMS,isomer #9	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3990.0	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #1	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	3957.2	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #10	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3989.2	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3931.7	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #12	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3949.0	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3950.2	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3987.6	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3969.7	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3963.7	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #17	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3950.0	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #18	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3966.5	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #19	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3973.0	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #2	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	3949.0	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #20	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3962.9	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3960.5	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #22	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4042.6	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #3	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	3971.9	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #4	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3978.5	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #5	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3999.5	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #6	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3995.5	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #7	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3940.4	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #8	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3955.2	Semi standard non polar	33892256
Myricitrin,6TMS,isomer #9	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3961.9	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #1	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4686.0	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4660.2	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4659.2	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4671.9	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4661.6	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4668.0	Semi standard non polar	33892256
Myricitrin,1TBDMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4674.5	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #1	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4795.4	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #10	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4766.5	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4795.9	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #12	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4766.9	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4744.1	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4752.4	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4743.2	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4771.3	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #17	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4754.1	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4753.0	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4776.8	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4807.5	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4780.6	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4779.1	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4791.7	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4817.1	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4809.6	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4802.7	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4829.1	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4764.4	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #8	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4782.7	Semi standard non polar	33892256
Myricitrin,2TBDMS,isomer #9	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4773.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #1	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4863.8	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #10	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4859.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #11	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4842.2	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #12	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4834.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #13	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4873.3	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #14	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4846.5	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #15	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4864.2	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #16	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4868.9	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #17	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4827.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #18	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4806.8	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #19	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4784.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #2	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	4844.6	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #20	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4770.4	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #21	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4814.8	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #22	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4793.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #23	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4802.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #24	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4829.3	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #25	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4807.9	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #26	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4823.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #27	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4831.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #28	CC1OC(OC2=C(C3=CC(O[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)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	4809.4	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #29	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4796.5	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #3	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4857.6	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #30	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4786.0	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #31	CC1OC(OC2=C(C3=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4820.5	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #32	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4778.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #33	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4770.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #34	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4804.3	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #35	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4778.5	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #36	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4797.9	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #37	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4805.4	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #38	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4786.3	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #39	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4806.6	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #4	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4814.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #40	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4807.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #41	CC1OC(OC2=C(C3=CC(O)=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)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	4849.4	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #5	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4797.9	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #6	CC1OC(OC2=C(C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4842.1	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #7	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	4901.2	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #8	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4826.3	Semi standard non polar	33892256
Myricitrin,3TBDMS,isomer #9	CC1OC(OC2=C(C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4830.9	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 - Myricitrin GC-MS (Non-derivatized) - 70eV, Positive	splash10-0k9b-9201300000-d10e32fc5a1d0c76806f	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (3 TMS) - 70eV, Positive	splash10-014i-9400007000-64569a12a871673daba9	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-05	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-05	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 - Myricitrin 10V, Positive-QTOF	splash10-014i-0109600000-ebb1fb40483758f777ab	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOF	splash10-014i-0209000000-e344b10d0f1020c27096	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOF	splash10-0udr-2926000000-7decfb86b27dd94e53c6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 10V, Positive-QTOF	splash10-014i-0109600000-ebb1fb40483758f777ab	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOF	splash10-014i-0209000000-e344b10d0f1020c27096	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOF	splash10-0udr-2926000000-7decfb86b27dd94e53c6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOF	splash10-03xr-2207900000-d36fac331dffea5d2f42	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOF	splash10-014j-1339200000-33bd246d971e42c5ad27	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOF	splash10-0170-5964000000-7bd9b72230384ddf2e0b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOF	splash10-03xr-2207900000-d36fac331dffea5d2f42	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOF	splash10-014j-1339200000-33bd246d971e42c5ad27	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOF	splash10-0170-5964000000-7bd9b72230384ddf2e0b	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOF	splash10-03di-0000900000-ede760d3092419a25e9d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOF	splash10-03di-0300900000-54bc9fe47fd4524c0d68	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOF	splash10-0gbl-1910200000-32350626533e5314ca32	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 10V, Positive-QTOF	splash10-014i-0000900000-efd108638fa903352a90	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOF	splash10-014i-0000900000-d5904d6fa0706b78e735	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOF	splash10-0gb9-1901400000-7a5f7075c27aee4ffc7b	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012726

KNApSAcK ID

C00005730

Chemspider ID

4508981

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Myricitrin

METLIN ID

Not Available

PubChem Compound

5352000

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Meotti FC, Missau FC, Ferreira J, Pizzolatti MG, Mizuzaki C, Nogueira CW, Santos AR: Anti-allodynic property of flavonoid myricitrin in models of persistent inflammatory and neuropathic pain in mice. Biochem Pharmacol. 2006 Dec 15;72(12):1707-13. Epub 2006 Sep 10. [PubMed:17070780 ]
Meotti FC, Posser T, Missau FC, Pizzolatti MG, Leal RB, Santos AR: Involvement of p38MAPK on the antinociceptive action of myricitrin in mice. Biochem Pharmacol. 2007 Sep 15;74(6):924-31. Epub 2007 Jun 22. [PubMed:17678631 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Myricitrin (HMDB0034360)

MOL for HMDB0034360 (Myricitrin)

3D MOL for HMDB0034360 (Myricitrin)

3D SDF for HMDB0034360 (Myricitrin)

3D-SDF for HMDB0034360 (Myricitrin)

PDB for HMDB0034360 (Myricitrin)

3D PDB for HMDB0034360 (Myricitrin)

SMILES for HMDB0034360 (Myricitrin)

INCHI for HMDB0034360 (Myricitrin)

Structure for HMDB0034360 (Myricitrin)

3D Structure for HMDB0034360 (Myricitrin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra