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Showing metabocard for Myricitrin (HMDB0034360)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 19:11:02 UTC
Update Date2022-03-07 02:54:04 UTC
HMDB IDHMDB0034360
Secondary Accession Numbers
  • HMDB34360
Metabolite Identification
Common NameMyricitrin
DescriptionMyricetin 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
Data?1563862551
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0034360 (Myricitrin)


  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
Download

3D MOL for HMDB0034360 (Myricitrin)

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
Download

3D SDF for HMDB0034360 (Myricitrin)


  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

$$$$
Download

3D-SDF for HMDB0034360 (Myricitrin)

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
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PDB for HMDB0034360 (Myricitrin)

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
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3D PDB for HMDB0034360 (Myricitrin)

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
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SMILES for HMDB0034360 (Myricitrin)

CC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O
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INCHI for HMDB0034360 (Myricitrin)

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
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnosideHMDB
Myricetin 3-O-alpha-L-rhamnopyranosideHMDB
Myricetin 3-O-alpha-L-rhamnosideHMDB
Myricetin 3-O-L-rhamnosideHMDB
Myricetin 3-O-rhamnosideHMDB
Myricetin 3-rhamnosideHMDB
Myricetin-3-O-alpha-L-rhamnosideHMDB
Myricetol 3-rhamnosideHMDB
MyricetrinHMDB
Myricitrin (8ci)HMDB
MyricitrineHMDB
MyricitrosideHMDB
Rhamnoside,myricetin-3HMDB
Chemical FormulaC21H20O12
Average Molecular Weight464.3763
Monoisotopic Molecular Weight464.095476104
IUPAC Name5,7-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Traditional Namemyricitrin
CAS Registry Number17912-87-7
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 KeyDCYOADKBABEMIQ-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.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassFlavonoid glycosides
Direct ParentFlavonoid-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 FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point194 - 197 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.43 g/LALOGPS
logP1.18ALOGPS
logP0.6ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)6.43ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area206.6 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity109.71 m³·mol⁻¹ChemAxon
Polarizability43.43 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+200.49530932474
DeepCCS[M-H]-198.09930932474
DeepCCS[M-2H]-230.98330932474
DeepCCS[M+Na]+206.40830932474
AllCCS[M+H]+205.232859911
AllCCS[M+H-H2O]+202.832859911
AllCCS[M+NH4]+207.332859911
AllCCS[M+Na]+208.032859911
AllCCS[M-H]-203.132859911
AllCCS[M+Na-2H]-203.532859911
AllCCS[M+HCOO]-204.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
MyricitrinCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O6578.2Standard polar33892256
MyricitrinCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O4336.6Standard non polar33892256
MyricitrinCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O4439.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Myricitrin,1TMS,isomer #1CC1OC(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)C1O4454.9Semi standard non polar33892256
Myricitrin,1TMS,isomer #2CC1OC(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)C1O4400.0Semi standard non polar33892256
Myricitrin,1TMS,isomer #3CC1OC(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)C1O4379.8Semi standard non polar33892256
Myricitrin,1TMS,isomer #4CC1OC(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)C1O4381.3Semi standard non polar33892256
Myricitrin,1TMS,isomer #5CC1OC(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)C1O4393.9Semi standard non polar33892256
Myricitrin,1TMS,isomer #6CC1OC(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)C1O4397.9Semi standard non polar33892256
Myricitrin,1TMS,isomer #7CC1OC(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)C4408.5Semi standard non polar33892256
Myricitrin,2TMS,isomer #1CC1OC(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)C1O4348.6Semi standard non polar33892256
Myricitrin,2TMS,isomer #10CC1OC(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)C1O4305.0Semi standard non polar33892256
Myricitrin,2TMS,isomer #11CC1OC(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)C4327.3Semi standard non polar33892256
Myricitrin,2TMS,isomer #12CC1OC(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)C1O4307.1Semi standard non polar33892256
Myricitrin,2TMS,isomer #13CC1OC(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)C1O4262.3Semi standard non polar33892256
Myricitrin,2TMS,isomer #14CC1OC(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)C1O4288.1Semi standard non polar33892256
Myricitrin,2TMS,isomer #15CC1OC(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)C1O4278.1Semi standard non polar33892256
Myricitrin,2TMS,isomer #16CC1OC(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)C4301.4Semi standard non polar33892256
Myricitrin,2TMS,isomer #17CC1OC(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)C1O4279.8Semi standard non polar33892256
Myricitrin,2TMS,isomer #18CC1OC(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)C1O4260.6Semi standard non polar33892256
Myricitrin,2TMS,isomer #19CC1OC(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)C4284.9Semi standard non polar33892256
Myricitrin,2TMS,isomer #2CC1OC(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)C1O4324.6Semi standard non polar33892256
Myricitrin,2TMS,isomer #20CC1OC(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)C1O4323.4Semi standard non polar33892256
Myricitrin,2TMS,isomer #21CC1OC(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)C4324.2Semi standard non polar33892256
Myricitrin,2TMS,isomer #22CC1OC(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)C4332.5Semi standard non polar33892256
Myricitrin,2TMS,isomer #3CC1OC(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)C1O4377.8Semi standard non polar33892256
Myricitrin,2TMS,isomer #4CC1OC(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)C1O4360.9Semi standard non polar33892256
Myricitrin,2TMS,isomer #5CC1OC(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)C1O4349.7Semi standard non polar33892256
Myricitrin,2TMS,isomer #6CC1OC(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)C4370.2Semi standard non polar33892256
Myricitrin,2TMS,isomer #7CC1OC(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)C1O4321.5Semi standard non polar33892256
Myricitrin,2TMS,isomer #8CC1OC(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)C1O4307.8Semi standard non polar33892256
Myricitrin,2TMS,isomer #9CC1OC(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)C1O4315.6Semi standard non polar33892256
Myricitrin,3TMS,isomer #1CC1OC(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)C1O4188.3Semi standard non polar33892256
Myricitrin,3TMS,isomer #10CC1OC(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)C4171.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #11CC1OC(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)C1O4228.1Semi standard non polar33892256
Myricitrin,3TMS,isomer #12CC1OC(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)C1O4206.9Semi standard non polar33892256
Myricitrin,3TMS,isomer #13CC1OC(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)C4247.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #14CC1OC(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)C1O4251.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #15CC1OC(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)C4251.0Semi standard non polar33892256
Myricitrin,3TMS,isomer #16CC1OC(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)C4250.1Semi standard non polar33892256
Myricitrin,3TMS,isomer #17CC1OC(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)C1O4175.5Semi standard non polar33892256
Myricitrin,3TMS,isomer #18CC1OC(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)C1O4137.0Semi standard non polar33892256
Myricitrin,3TMS,isomer #19CC1OC(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)C1O4167.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #2CC1OC(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)C1O4155.0Semi standard non polar33892256
Myricitrin,3TMS,isomer #20CC1OC(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)C1O4138.9Semi standard non polar33892256
Myricitrin,3TMS,isomer #21CC1OC(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)C4186.0Semi standard non polar33892256
Myricitrin,3TMS,isomer #22CC1OC(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)C1O4147.7Semi standard non polar33892256
Myricitrin,3TMS,isomer #23CC1OC(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)C1O4102.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #24CC1OC(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)C4160.1Semi standard non polar33892256
Myricitrin,3TMS,isomer #25CC1OC(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)C1O4222.9Semi standard non polar33892256
Myricitrin,3TMS,isomer #26CC1OC(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)C4227.6Semi standard non polar33892256
Myricitrin,3TMS,isomer #27CC1OC(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)C4225.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #28CC1OC(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)C1O4168.7Semi standard non polar33892256
Myricitrin,3TMS,isomer #29CC1OC(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)C1O4167.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #3CC1OC(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)C1O4184.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #30CC1OC(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)C1O4143.9Semi standard non polar33892256
Myricitrin,3TMS,isomer #31CC1OC(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)C4178.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #32CC1OC(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)C1O4144.3Semi standard non polar33892256
Myricitrin,3TMS,isomer #33CC1OC(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)C1O4121.3Semi standard non polar33892256
Myricitrin,3TMS,isomer #34CC1OC(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)C4157.3Semi standard non polar33892256
Myricitrin,3TMS,isomer #35CC1OC(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)C1O4189.5Semi standard non polar33892256
Myricitrin,3TMS,isomer #36CC1OC(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)C4190.8Semi standard non polar33892256
Myricitrin,3TMS,isomer #37CC1OC(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)C4183.7Semi standard non polar33892256
Myricitrin,3TMS,isomer #38CC1OC(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)C1O4167.5Semi standard non polar33892256
Myricitrin,3TMS,isomer #39CC1OC(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)C4170.7Semi standard non polar33892256
Myricitrin,3TMS,isomer #4CC1OC(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)C1O4186.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #40CC1OC(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)C4159.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #41CC1OC(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)C4258.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #5CC1OC(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)C1O4150.7Semi standard non polar33892256
Myricitrin,3TMS,isomer #6CC1OC(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)C4197.4Semi standard non polar33892256
Myricitrin,3TMS,isomer #7CC1OC(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)C1O4164.8Semi standard non polar33892256
Myricitrin,3TMS,isomer #8CC1OC(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)C1O4166.2Semi standard non polar33892256
Myricitrin,3TMS,isomer #9CC1OC(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)C1O4116.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #1CC1OC(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)C1O4090.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #10CC1OC(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)C1O4069.4Semi standard non polar33892256
Myricitrin,4TMS,isomer #11CC1OC(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)C1O3989.8Semi standard non polar33892256
Myricitrin,4TMS,isomer #12CC1OC(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)C4072.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #13CC1OC(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)C1O4080.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #14CC1OC(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)C4105.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #15CC1OC(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)C4089.8Semi standard non polar33892256
Myricitrin,4TMS,isomer #16CC1OC(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)C1O4029.8Semi standard non polar33892256
Myricitrin,4TMS,isomer #17CC1OC(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)C1O4029.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #18CC1OC(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)C4057.9Semi standard non polar33892256
Myricitrin,4TMS,isomer #19CC1OC(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)C1O4035.9Semi standard non polar33892256
Myricitrin,4TMS,isomer #2CC1OC(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)C1O4042.9Semi standard non polar33892256
Myricitrin,4TMS,isomer #20CC1OC(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)C4053.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #21CC1OC(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)C4045.6Semi standard non polar33892256
Myricitrin,4TMS,isomer #22CC1OC(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)C1O4158.0Semi standard non polar33892256
Myricitrin,4TMS,isomer #23CC1OC(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)C4176.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #24CC1OC(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)C4169.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #25CC1OC(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)C4210.0Semi standard non polar33892256
Myricitrin,4TMS,isomer #26CC1OC(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)C1O4056.4Semi standard non polar33892256
Myricitrin,4TMS,isomer #27CC1OC(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)C1O4045.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #28CC1OC(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)C1O3977.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #29CC1OC(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)C4052.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #3CC1OC(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)C1O4075.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #30CC1OC(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)C1O4026.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #31CC1OC(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)C1O3959.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #32CC1OC(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)C4030.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #33CC1OC(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)C1O4058.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #34CC1OC(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)C4079.6Semi standard non polar33892256
Myricitrin,4TMS,isomer #35CC1OC(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)C4074.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #36CC1OC(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)C1O4015.5Semi standard non polar33892256
Myricitrin,4TMS,isomer #37CC1OC(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)C4036.6Semi standard non polar33892256
Myricitrin,4TMS,isomer #38CC1OC(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)C4026.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #39CC1OC(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)C4182.8Semi standard non polar33892256
Myricitrin,4TMS,isomer #4CC1OC(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)C1O3990.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #40CC1OC(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)C1O4096.9Semi standard non polar33892256
Myricitrin,4TMS,isomer #41CC1OC(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)C1O4054.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #42CC1OC(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)C4107.0Semi standard non polar33892256
Myricitrin,4TMS,isomer #43CC1OC(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)C1O4061.1Semi standard non polar33892256
Myricitrin,4TMS,isomer #44CC1OC(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)C4087.0Semi standard non polar33892256
Myricitrin,4TMS,isomer #45CC1OC(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)C4076.3Semi standard non polar33892256
Myricitrin,4TMS,isomer #46CC1OC(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)C1O4051.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #47CC1OC(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)C4070.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #48CC1OC(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)C4062.2Semi standard non polar33892256
Myricitrin,4TMS,isomer #49CC1OC(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)C4130.9Semi standard non polar33892256
Myricitrin,4TMS,isomer #5CC1OC(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)C4073.5Semi standard non polar33892256
Myricitrin,4TMS,isomer #50CC1OC(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)C4103.8Semi standard non polar33892256
Myricitrin,4TMS,isomer #6CC1OC(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)C1O4022.4Semi standard non polar33892256
Myricitrin,4TMS,isomer #7CC1OC(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)C1O4058.7Semi standard non polar33892256
Myricitrin,4TMS,isomer #8CC1OC(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)C1O3983.4Semi standard non polar33892256
Myricitrin,4TMS,isomer #9CC1OC(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)C4055.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #1CC1OC(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)C1O3990.4Semi standard non polar33892256
Myricitrin,5TMS,isomer #10CC1OC(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)C3987.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #11CC1OC(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)C1O3967.3Semi standard non polar33892256
Myricitrin,5TMS,isomer #12CC1OC(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)C1O3969.7Semi standard non polar33892256
Myricitrin,5TMS,isomer #13CC1OC(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)C3991.4Semi standard non polar33892256
Myricitrin,5TMS,isomer #14CC1OC(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)C1O3977.5Semi standard non polar33892256
Myricitrin,5TMS,isomer #15CC1OC(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)C3991.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #16CC1OC(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)C3984.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #17CC1OC(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)C1O3974.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #18CC1OC(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)C3987.4Semi standard non polar33892256
Myricitrin,5TMS,isomer #19CC1OC(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)C3978.7Semi standard non polar33892256
Myricitrin,5TMS,isomer #2CC1OC(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)C1O4032.1Semi standard non polar33892256
Myricitrin,5TMS,isomer #20CC1OC(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)C4051.7Semi standard non polar33892256
Myricitrin,5TMS,isomer #21CC1OC(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)C1O3977.9Semi standard non polar33892256
Myricitrin,5TMS,isomer #22CC1OC(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)C3994.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #23CC1OC(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)C3998.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #24CC1OC(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)C4019.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #25CC1OC(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)C4121.2Semi standard non polar33892256
Myricitrin,5TMS,isomer #26CC1OC(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)C1O3997.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #27CC1OC(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)C1O3942.1Semi standard non polar33892256
Myricitrin,5TMS,isomer #28CC1OC(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)C3995.1Semi standard non polar33892256
Myricitrin,5TMS,isomer #29CC1OC(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)C1O3950.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #3CC1OC(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)C1O3974.4Semi standard non polar33892256
Myricitrin,5TMS,isomer #30CC1OC(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)C3965.4Semi standard non polar33892256
Myricitrin,5TMS,isomer #31CC1OC(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)C3960.5Semi standard non polar33892256
Myricitrin,5TMS,isomer #32CC1OC(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)C1O3948.3Semi standard non polar33892256
Myricitrin,5TMS,isomer #33CC1OC(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)C3963.3Semi standard non polar33892256
Myricitrin,5TMS,isomer #34CC1OC(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)C3958.6Semi standard non polar33892256
Myricitrin,5TMS,isomer #35CC1OC(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)C4028.2Semi standard non polar33892256
Myricitrin,5TMS,isomer #36CC1OC(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)C3997.6Semi standard non polar33892256
Myricitrin,5TMS,isomer #37CC1OC(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)C1O4032.0Semi standard non polar33892256
Myricitrin,5TMS,isomer #38CC1OC(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)C4045.2Semi standard non polar33892256
Myricitrin,5TMS,isomer #39CC1OC(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)C4038.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #4CC1OC(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)C4031.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #40CC1OC(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)C4044.5Semi standard non polar33892256
Myricitrin,5TMS,isomer #41CC1OC(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)C4043.2Semi standard non polar33892256
Myricitrin,5TMS,isomer #5CC1OC(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)C1O3965.3Semi standard non polar33892256
Myricitrin,5TMS,isomer #6CC1OC(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)C1O3977.8Semi standard non polar33892256
Myricitrin,5TMS,isomer #7CC1OC(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)C3987.7Semi standard non polar33892256
Myricitrin,5TMS,isomer #8CC1OC(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)C1O3977.6Semi standard non polar33892256
Myricitrin,5TMS,isomer #9CC1OC(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)C3990.0Semi standard non polar33892256
Myricitrin,6TMS,isomer #1CC1OC(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)C1O3957.2Semi standard non polar33892256
Myricitrin,6TMS,isomer #10CC1OC(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)C3989.2Semi standard non polar33892256
Myricitrin,6TMS,isomer #11CC1OC(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)C1O3931.7Semi standard non polar33892256
Myricitrin,6TMS,isomer #12CC1OC(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)C3949.0Semi standard non polar33892256
Myricitrin,6TMS,isomer #13CC1OC(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)C3950.2Semi standard non polar33892256
Myricitrin,6TMS,isomer #14CC1OC(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)C3987.6Semi standard non polar33892256
Myricitrin,6TMS,isomer #15CC1OC(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)C3969.7Semi standard non polar33892256
Myricitrin,6TMS,isomer #16CC1OC(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)C3963.7Semi standard non polar33892256
Myricitrin,6TMS,isomer #17CC1OC(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)C1O3950.0Semi standard non polar33892256
Myricitrin,6TMS,isomer #18CC1OC(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)C3966.5Semi standard non polar33892256
Myricitrin,6TMS,isomer #19CC1OC(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)C3973.0Semi standard non polar33892256
Myricitrin,6TMS,isomer #2CC1OC(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)C1O3949.0Semi standard non polar33892256
Myricitrin,6TMS,isomer #20CC1OC(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)C3962.9Semi standard non polar33892256
Myricitrin,6TMS,isomer #21CC1OC(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)C3960.5Semi standard non polar33892256
Myricitrin,6TMS,isomer #22CC1OC(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)C4042.6Semi standard non polar33892256
Myricitrin,6TMS,isomer #3CC1OC(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)C3971.9Semi standard non polar33892256
Myricitrin,6TMS,isomer #4CC1OC(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)C1O3978.5Semi standard non polar33892256
Myricitrin,6TMS,isomer #5CC1OC(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)C3999.5Semi standard non polar33892256
Myricitrin,6TMS,isomer #6CC1OC(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)C3995.5Semi standard non polar33892256
Myricitrin,6TMS,isomer #7CC1OC(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)C1O3940.4Semi standard non polar33892256
Myricitrin,6TMS,isomer #8CC1OC(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)C3955.2Semi standard non polar33892256
Myricitrin,6TMS,isomer #9CC1OC(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)C3961.9Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #1CC1OC(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)C1O4686.0Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #2CC1OC(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)C1O4660.2Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #3CC1OC(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)C1O4659.2Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #4CC1OC(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)C1O4671.9Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #5CC1OC(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)C1O4661.6Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #6CC1OC(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)C1O4668.0Semi standard non polar33892256
Myricitrin,1TBDMS,isomer #7CC1OC(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)C4674.5Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #1CC1OC(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)C1O4795.4Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #10CC1OC(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)C1O4766.5Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #11CC1OC(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)C4795.9Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #12CC1OC(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)C1O4766.9Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #13CC1OC(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)C1O4744.1Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #14CC1OC(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)C1O4752.4Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #15CC1OC(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)C1O4743.2Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #16CC1OC(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)C4771.3Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #17CC1OC(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)C1O4754.1Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #18CC1OC(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)C1O4753.0Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #19CC1OC(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)C4776.8Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #2CC1OC(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)C1O4807.5Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #20CC1OC(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)C1O4780.6Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #21CC1OC(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)C4779.1Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #22CC1OC(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)C4791.7Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #3CC1OC(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)C1O4817.1Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #4CC1OC(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)C1O4809.6Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #5CC1OC(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)C1O4802.7Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #6CC1OC(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)C4829.1Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #7CC1OC(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)C1O4764.4Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #8CC1OC(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)C1O4782.7Semi standard non polar33892256
Myricitrin,2TBDMS,isomer #9CC1OC(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)C1O4773.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #1CC1OC(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)C1O4863.8Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #10CC1OC(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)C4859.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #11CC1OC(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)C1O4842.2Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #12CC1OC(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)C1O4834.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #13CC1OC(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)C4873.3Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #14CC1OC(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)C1O4846.5Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #15CC1OC(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)C4864.2Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #16CC1OC(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)C4868.9Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #17CC1OC(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)C1O4827.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #18CC1OC(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)C1O4806.8Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #19CC1OC(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)C1O4784.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #2CC1OC(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)C1O4844.6Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #20CC1OC(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)C1O4770.4Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #21CC1OC(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)C4814.8Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #22CC1OC(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)C1O4793.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #23CC1OC(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)C1O4802.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #24CC1OC(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)C4829.3Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #25CC1OC(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)C1O4807.9Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #26CC1OC(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)C4823.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #27CC1OC(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)C4831.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #28CC1OC(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)C1O4809.4Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #29CC1OC(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)C1O4796.5Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #3CC1OC(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)C1O4857.6Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #30CC1OC(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)C1O4786.0Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #31CC1OC(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)C4820.5Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #32CC1OC(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)C1O4778.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #33CC1OC(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)C1O4770.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #34CC1OC(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)C4804.3Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #35CC1OC(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)C1O4778.5Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #36CC1OC(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)C4797.9Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #37CC1OC(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)C4805.4Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #38CC1OC(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)C1O4786.3Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #39CC1OC(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)C4806.6Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #4CC1OC(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)C1O4814.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #40CC1OC(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)C4807.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #41CC1OC(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)C4849.4Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #5CC1OC(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)C1O4797.9Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #6CC1OC(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)C4842.1Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #7CC1OC(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)C1O4901.2Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #8CC1OC(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)C1O4826.3Semi standard non polar33892256
Myricitrin,3TBDMS,isomer #9CC1OC(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)C1O4830.9Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0k9b-9201300000-d10e32fc5a1d0c76806f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (3 TMS) - 70eV, Positivesplash10-014i-9400007000-64569a12a871673daba92017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Myricitrin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Positive-QTOFsplash10-014i-0109600000-ebb1fb40483758f777ab2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOFsplash10-014i-0209000000-e344b10d0f1020c270962015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOFsplash10-0udr-2926000000-7decfb86b27dd94e53c62015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Positive-QTOFsplash10-014i-0109600000-ebb1fb40483758f777ab2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOFsplash10-014i-0209000000-e344b10d0f1020c270962015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOFsplash10-0udr-2926000000-7decfb86b27dd94e53c62015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOFsplash10-03xr-2207900000-d36fac331dffea5d2f422015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOFsplash10-014j-1339200000-33bd246d971e42c5ad272015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOFsplash10-0170-5964000000-7bd9b72230384ddf2e0b2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOFsplash10-03xr-2207900000-d36fac331dffea5d2f422015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOFsplash10-014j-1339200000-33bd246d971e42c5ad272015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOFsplash10-0170-5964000000-7bd9b72230384ddf2e0b2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Negative-QTOFsplash10-03di-0000900000-ede760d3092419a25e9d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Negative-QTOFsplash10-03di-0300900000-54bc9fe47fd4524c0d682021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Negative-QTOFsplash10-0gbl-1910200000-32350626533e5314ca322021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 10V, Positive-QTOFsplash10-014i-0000900000-efd108638fa903352a902021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 20V, Positive-QTOFsplash10-014i-0000900000-d5904d6fa0706b78e7352021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Myricitrin 40V, Positive-QTOFsplash10-0gb9-1901400000-7a5f7075c27aee4ffc7b2021-09-25Wishart 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 IDFDB012726
KNApSAcK IDC00005730
Chemspider ID4508981
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMyricitrin
METLIN IDNot Available
PubChem Compound5352000
PDB IDNot Available
ChEBI IDNot Available
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. 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 ]
  2. 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 ]
  3. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .