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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:53:54 UTC

Update Date

2022-03-07 02:53:36 UTC

HMDB ID

HMDB0033132

Secondary Accession Numbers

HMDB33132

Metabolite Identification

Common Name

Myricetin 7-rhamnoside

Description

Myricetin 7-rhamnoside belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position. Based on a literature review very few articles have been published on Myricetin 7-rhamnoside.

Structure

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

  Mrv0541 05061306562D          

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

HMDB0033132
     RDKit          3D
Myricetin 7-rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.6855    2.7138    1.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    1.7373    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    0.4485    0.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -0.3169   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413    0.0771   -0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -0.6531    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952   -1.9660    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549   -2.7157    0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -4.0430    1.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -2.0858    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -2.8097    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -3.9941    1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206   -2.1335    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440   -2.8821    0.9888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -0.8309    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575   -0.1025    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0144   -0.5843    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1613    0.2149    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   -0.3313    0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    1.5248   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966    2.3251   -0.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    2.0297   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    3.3576   -0.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    1.2410   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -0.1945    0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998   -0.7677    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -0.0631   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832   -0.0191   -1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697   -1.1680   -2.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7970    0.4687   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096   -0.5350   -0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182    1.7174   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8827    1.7106    0.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2750    2.1741    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    3.0345    1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3151    3.5436    1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212    2.0647   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8266   -1.3681    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -2.5099    0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -4.4653    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -3.8349    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1509   -1.6074    0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -1.2962    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563    3.2832   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    3.7358   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    1.6608   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    0.9880   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.8019   -1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493   -1.3753   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2023    0.7454   -2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3472   -0.6580    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9114    2.6298   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7653    1.0830    1.3030 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  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 15 25  1  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
 27  6  1  0
 26 10  1  0
 24 16  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  7 39  1  0
  9 40  1  0
 14 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 27 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 05061306562D          

 33 36  0  0  0  0            999 V2000
   -4.2868    0.0000    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
   -3.5724   -0.4125    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
   -3.5724   -1.2375    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
   -2.8579   -1.6500    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
   -2.1434   -1.2375    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   -0.4125    0.0000 C   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
   -4.2868   -1.6500    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
   -2.8579   -2.4750    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
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    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
    1.4289    0.0000    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 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20  7  1  0  0  0  0
 20 18  2  0  0  0  0
 21 19  1  0  0  0  0
 22  9  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 25 14  1  0  0  0  0
 26 15  1  0  0  0  0
 27 16  2  0  0  0  0
 28 17  1  0  0  0  0
 29 18  1  0  0  0  0
 30 19  1  0  0  0  0
 31  6  1  0  0  0  0
 31 21  1  0  0  0  0
 32  8  1  0  0  0  0
 32 21  1  0  0  0  0
 33 12  1  0  0  0  0
 33 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0033132

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O

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

> <INCHI_KEY>
LPEPTRFUOKMJCH-UHFFFAOYSA-N

> <FORMULA>
C21H20O12

> <MOLECULAR_WEIGHT>
464.3763

> <EXACT_MASS>
464.095476104

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
44.23545951017998

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

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

> <ALOGPS_LOGP>
1.28

> <JCHEM_LOGP>
0.6315760156666668

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.534941094858421

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.7872141711054965

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6122003587144

> <JCHEM_POLAR_SURFACE_AREA>
206.59999999999994

> <JCHEM_REFRACTIVITY>
109.44379999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.75e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033132
     RDKit          3D
Myricetin 7-rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.6855    2.7138    1.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    1.7373    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    0.4485    0.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -0.3169   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413    0.0771   -0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -0.6531    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952   -1.9660    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549   -2.7157    0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -4.0430    1.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -2.0858    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -2.8097    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -3.9941    1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206   -2.1335    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440   -2.8821    0.9888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -0.8309    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575   -0.1025    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0144   -0.5843    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1613    0.2149    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   -0.3313    0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    1.5248   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966    2.3251   -0.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    2.0297   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    3.3576   -0.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    1.2410   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -0.1945    0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998   -0.7677    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -0.0631   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832   -0.0191   -1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697   -1.1680   -2.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7970    0.4687   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096   -0.5350   -0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182    1.7174   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8827    1.7106    0.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2750    2.1741    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    3.0345    1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3151    3.5436    1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212    2.0647   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8266   -1.3681    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -2.5099    0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -4.4653    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -3.8349    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1509   -1.6074    0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -1.2962    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563    3.2832   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    3.7358   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    1.6608   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    0.9880   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.8019   -1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493   -1.3753   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2023    0.7454   -2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3472   -0.6580    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9114    2.6298   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7653    1.0830    1.3030 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  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 15 25  1  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
 27  6  1  0
 26 10  1  0
 24 16  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  7 39  1  0
  9 40  1  0
 14 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 27 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      -8.002   0.000   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      -6.668  -0.770   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      -6.668  -2.310   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      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      -8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -5.335   0.000   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       2.667   0.000   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   20                                                  
CONECT    8    4    5   32                                                  
CONECT    9    4   13   22                                                  
CONECT   10    2   15   23                                                  
CONECT   11    3   15   24                                                  
CONECT   12    5   13   33                                                  
CONECT   13    9   12   16                                                  
CONECT   14    6   17   25                                                  
CONECT   15   10   11   26                                                  
CONECT   16   13   18   27                                                  
CONECT   17   14   19   28                                                  
CONECT   18   16   20   29                                                  
CONECT   19   17   21   30                                                  
CONECT   20    7   18   33                                                  
CONECT   21   19   31   32                                                  
CONECT   22    9                                                            
CONECT   23   10                                                            
CONECT   24   11                                                            
CONECT   25   14                                                            
CONECT   26   15                                                            
CONECT   27   16                                                            
CONECT   28   17                                                            
CONECT   29   18                                                            
CONECT   30   19                                                            
CONECT   31    6   21                                                       
CONECT   32    8   21                                                       
CONECT   33   12   20                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   72    0
END

COMPND    HMDB0033132
HETATM    1  C1  UNL     1      -4.686   2.714   1.569  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.496   1.737   0.437  1.00  0.00           C  
HETATM    3  O1  UNL     1      -4.285   0.449   0.897  1.00  0.00           O  
HETATM    4  C3  UNL     1      -3.668  -0.317  -0.122  1.00  0.00           C  
HETATM    5  O2  UNL     1      -2.341   0.077  -0.183  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.214  -0.653   0.082  1.00  0.00           C  
HETATM    7  C5  UNL     1      -1.295  -1.966   0.469  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.155  -2.716   0.741  1.00  0.00           C  
HETATM    9  O3  UNL     1      -0.184  -4.043   1.135  1.00  0.00           O  
HETATM   10  C7  UNL     1       1.063  -2.086   0.605  1.00  0.00           C  
HETATM   11  C8  UNL     1       2.207  -2.810   0.869  1.00  0.00           C  
HETATM   12  O4  UNL     1       2.126  -3.994   1.218  1.00  0.00           O  
HETATM   13  C9  UNL     1       3.421  -2.133   0.718  1.00  0.00           C  
HETATM   14  O5  UNL     1       4.544  -2.882   0.989  1.00  0.00           O  
HETATM   15  C10 UNL     1       3.519  -0.831   0.335  1.00  0.00           C  
HETATM   16  C11 UNL     1       4.758  -0.102   0.170  1.00  0.00           C  
HETATM   17  C12 UNL     1       6.014  -0.584   0.366  1.00  0.00           C  
HETATM   18  C13 UNL     1       7.161   0.215   0.177  1.00  0.00           C  
HETATM   19  O6  UNL     1       8.406  -0.331   0.392  1.00  0.00           O  
HETATM   20  C14 UNL     1       7.061   1.525  -0.217  1.00  0.00           C  
HETATM   21  O7  UNL     1       8.197   2.325  -0.408  1.00  0.00           O  
HETATM   22  C15 UNL     1       5.797   2.030  -0.421  1.00  0.00           C  
HETATM   23  O8  UNL     1       5.716   3.358  -0.820  1.00  0.00           O  
HETATM   24  C16 UNL     1       4.692   1.241  -0.233  1.00  0.00           C  
HETATM   25  O9  UNL     1       2.364  -0.195   0.096  1.00  0.00           O  
HETATM   26  C17 UNL     1       1.200  -0.768   0.218  1.00  0.00           C  
HETATM   27  C18 UNL     1       0.020  -0.063  -0.042  1.00  0.00           C  
HETATM   28  C19 UNL     1      -4.383  -0.019  -1.428  1.00  0.00           C  
HETATM   29  O10 UNL     1      -4.470  -1.168  -2.222  1.00  0.00           O  
HETATM   30  C20 UNL     1      -5.797   0.469  -1.194  1.00  0.00           C  
HETATM   31  O11 UNL     1      -6.610  -0.535  -0.682  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.818   1.717  -0.340  1.00  0.00           C  
HETATM   33  O12 UNL     1      -6.883   1.711   0.563  1.00  0.00           O  
HETATM   34  H1  UNL     1      -5.275   2.174   2.357  1.00  0.00           H  
HETATM   35  H2  UNL     1      -3.733   3.035   1.990  1.00  0.00           H  
HETATM   36  H3  UNL     1      -5.315   3.544   1.184  1.00  0.00           H  
HETATM   37  H4  UNL     1      -3.721   2.065  -0.283  1.00  0.00           H  
HETATM   38  H5  UNL     1      -3.827  -1.368   0.184  1.00  0.00           H  
HETATM   39  H6  UNL     1      -2.224  -2.510   0.592  1.00  0.00           H  
HETATM   40  H7  UNL     1      -1.105  -4.465   1.222  1.00  0.00           H  
HETATM   41  H8  UNL     1       4.569  -3.835   1.274  1.00  0.00           H  
HETATM   42  H9  UNL     1       6.151  -1.607   0.677  1.00  0.00           H  
HETATM   43  H10 UNL     1       8.477  -1.296   0.682  1.00  0.00           H  
HETATM   44  H11 UNL     1       8.056   3.283  -0.699  1.00  0.00           H  
HETATM   45  H12 UNL     1       4.788   3.736  -0.972  1.00  0.00           H  
HETATM   46  H13 UNL     1       3.713   1.661  -0.399  1.00  0.00           H  
HETATM   47  H14 UNL     1       0.083   0.988  -0.352  1.00  0.00           H  
HETATM   48  H15 UNL     1      -3.841   0.802  -1.938  1.00  0.00           H  
HETATM   49  H16 UNL     1      -3.549  -1.375  -2.560  1.00  0.00           H  
HETATM   50  H17 UNL     1      -6.202   0.745  -2.190  1.00  0.00           H  
HETATM   51  H18 UNL     1      -6.347  -0.658   0.275  1.00  0.00           H  
HETATM   52  H19 UNL     1      -5.911   2.630  -0.963  1.00  0.00           H  
HETATM   53  H20 UNL     1      -6.765   1.083   1.303  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   27
CONECT    7    8   39
CONECT    8    9   10   10
CONECT    9   40
CONECT   10   11   26
CONECT   11   12   12   13
CONECT   13   14   15   15
CONECT   14   41
CONECT   15   16   25
CONECT   16   17   17   24
CONECT   17   18   42
CONECT   18   19   20   20
CONECT   19   43
CONECT   20   21   22
CONECT   21   44
CONECT   22   23   24   24
CONECT   23   45
CONECT   24   46
CONECT   25   26
CONECT   26   27   27
CONECT   27   47
CONECT   28   29   30   48
CONECT   29   49
CONECT   30   31   32   50
CONECT   31   51
CONECT   32   33   52
CONECT   33   53
END

HMDB0033132
     RDKit          3D
Myricetin 7-rhamnoside
 53 56  0  0  0  0  0  0  0  0999 V2000
   -4.6855    2.7138    1.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4958    1.7373    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2851    0.4485    0.8969 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -0.3169   -0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3413    0.0771   -0.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2140   -0.6531    0.0819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2952   -1.9660    0.4694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1549   -2.7157    0.7409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1841   -4.0430    1.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0626   -2.0858    0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -2.8097    0.8686 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1263   -3.9941    1.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4206   -2.1335    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5440   -2.8821    0.9888 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5188   -0.8309    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575   -0.1025    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0144   -0.5843    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1613    0.2149    0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4060   -0.3313    0.3920 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0615    1.5248   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1966    2.3251   -0.4078 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7972    2.0297   -0.4210 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7156    3.3576   -0.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6921    1.2410   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3637   -0.1945    0.0963 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1998   -0.7677    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199   -0.0631   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3832   -0.0191   -1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697   -1.1680   -2.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7970    0.4687   -1.1942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6096   -0.5350   -0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8182    1.7174   -0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8827    1.7106    0.5626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2750    2.1741    2.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7334    3.0345    1.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3151    3.5436    1.1841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212    2.0647   -0.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8266   -1.3681    0.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -2.5099    0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1047   -4.4653    1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5687   -3.8349    1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1509   -1.6074    0.6769 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4768   -1.2962    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0563    3.2832   -0.6990 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7880    3.7358   -0.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    1.6608   -0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0829    0.9880   -0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8408    0.8019   -1.9379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5493   -1.3753   -2.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2023    0.7454   -2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3472   -0.6580    0.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9114    2.6298   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7653    1.0830    1.3030 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  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  2  0
 15 25  1  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
 27  6  1  0
 26 10  1  0
 24 16  1  0
  1 34  1  0
  1 35  1  0
  1 36  1  0
  2 37  1  0
  4 38  1  0
  7 39  1  0
  9 40  1  0
 14 41  1  0
 17 42  1  0
 19 43  1  0
 21 44  1  0
 23 45  1  0
 24 46  1  0
 27 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

Not Available

Chemical Formula

C₂₁H₂₀O₁₂

Average Molecular Weight

464.3763

Monoisotopic Molecular Weight

464.095476104

IUPAC Name

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

Traditional Name

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

CAS Registry Number

184533-14-0

SMILES

CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O

InChI Identifier

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

InChI Key

LPEPTRFUOKMJCH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-7-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C7-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-7-O-glycosides

Alternative Parents

Substituents

Flavonoid-7-o-glycoside
3-hydroxyflavone
Hydroxyflavonoid
Flavone
5-hydroxyflavonoid
4'-hydroxyflavonoid
3-hydroxyflavonoid
3'-hydroxyflavonoid
Phenolic glycoside
Hexose monosaccharide
Chromone
O-glycosyl compound
Glycosyl compound
Benzopyran
1-benzopyran
Pyrogallol derivative
Benzenetriol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Phenol
Pyranone
Monocyclic benzene moiety
Benzenoid
Pyran
Oxane
Monosaccharide
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

Cellular substructure

Extracellular (HMDB: HMDB0033132)
Cytoplasm (HMDB: HMDB0033132)

Source

Exogenous

Exogenous (HMDB: HMDB0033132)

Food

Food (HMDB: HMDB0033132)

Endogenous

Plant

Plant (HMDB: HMDB0033132)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0033132)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.75 g/L	ALOGPS
logP	1.28	ALOGPS
logP	0.63	ChemAxon
logS	-2.4	ALOGPS
pKa (Strongest Acidic)	7.79	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	206.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	109.44 m³·mol⁻¹	ChemAxon
Polarizability	44.24 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
DarkChem	[M+H]+	208.488	31661259
DarkChem	[M-H]-	200.761	31661259
DeepCCS	[M+H]+	204.365	30932474
DeepCCS	[M-H]-	201.969	30932474
DeepCCS	[M-2H]-	234.853	30932474
DeepCCS	[M+Na]+	210.277	30932474
AllCCS	[M+H]+	205.6	32859911
AllCCS	[M+H-H2O]+	203.2	32859911
AllCCS	[M+NH4]+	207.7	32859911
AllCCS	[M+Na]+	208.3	32859911
AllCCS	[M-H]-	202.5	32859911
AllCCS	[M+Na-2H]-	203.0	32859911
AllCCS	[M+HCOO]-	203.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	6079.2	Standard polar	33892256
Myricetin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4406.4	Standard non polar	33892256
Myricetin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(OC3=C2)C2=CC(O)=C(O)C(O)=C2)C(O)C(O)C1O	4472.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 7-rhamnoside,1TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4474.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #2	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4449.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #3	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4473.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #4	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4488.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #5	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4476.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #6	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4480.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TMS,isomer #7	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4484.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4365.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #10	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4338.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #11	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4350.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #12	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4383.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #13	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4315.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #14	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4358.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #15	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4345.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #16	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4367.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #17	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4334.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #18	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4337.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #19	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4345.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4373.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #20	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4398.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #21	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4397.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #22	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4407.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4381.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4377.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4370.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4393.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #7	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4320.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #8	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4306.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TMS,isomer #9	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4358.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4172.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #10	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4201.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #11	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4174.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #12	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4185.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #13	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4208.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #14	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4278.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #15	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4269.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #16	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4272.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #17	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4173.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #18	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4141.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #19	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4171.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4177.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #20	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4133.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #21	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4174.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #22	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4150.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #23	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4106.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #24	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4151.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #25	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4235.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #26	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4242.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #27	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4234.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #28	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4195.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #29	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4223.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4227.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #30	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4182.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #31	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4224.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #32	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4186.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #33	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4144.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #34	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4181.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #35	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4244.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #36	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4234.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #37	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4223.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #38	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4213.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #39	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4208.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4199.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #40	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4199.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #41	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4324.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4232.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4223.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #7	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4178.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #8	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4200.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TMS,isomer #9	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4145.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4062.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #10	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4166.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #11	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4150.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #12	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4093.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #13	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4062.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #14	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4051.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #15	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4094.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #16	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4046.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #17	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4045.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #18	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4078.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #19	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4065.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4039.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #20	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4088.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #21	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4068.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #22	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4070.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #23	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4085.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #24	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4074.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #25	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4215.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #26	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4074.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #27	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4058.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #28	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3984.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #29	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4056.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4051.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #30	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4041.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #31	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3972.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #32	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4035.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #33	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4067.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #34	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4090.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #35	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4070.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #36	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4029.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #37	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4046.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #38	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4030.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #39	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4199.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3986.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #40	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4106.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #41	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4039.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #42	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4102.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #43	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4080.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #44	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4100.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #45	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4081.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #46	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4063.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #47	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4079.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #48	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4062.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #49	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4153.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4052.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #50	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4128.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4035.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #7	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4049.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #8	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4064.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,4TMS,isomer #9	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4147.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	3992.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #10	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3974.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #11	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3988.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #12	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4007.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #13	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4000.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #14	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4110.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #15	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4014.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #16	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	4002.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #17	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4034.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #18	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4008.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #19	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4019.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3971.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #20	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4012.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #21	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4006.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #22	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4022.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #23	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4007.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #24	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4044.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #25	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4040.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #26	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	4014.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #27	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3966.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #28	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4012.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #29	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3979.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3990.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #30	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3990.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #31	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3983.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #32	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3974.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #33	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3985.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #34	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3976.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #35	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4049.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #36	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4020.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #37	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4039.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #38	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4050.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #39	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4033.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	4004.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #40	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4048.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #41	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4048.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3967.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3974.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #7	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	3995.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #8	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3978.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,5TMS,isomer #9	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3988.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O	3944.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #10	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3979.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #11	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3964.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #12	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3970.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #13	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3990.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #14	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3975.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #15	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3989.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #16	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3977.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #17	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3970.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #18	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3988.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #19	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3979.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O	3940.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #20	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3990.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #21	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3979.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #22	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4043.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C	3960.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3947.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3958.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3955.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #7	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3933.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #8	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3946.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,6TMS,isomer #9	CC1OC(OC2=CC(O[Si](C)(C)C)=C3C(=O)C(O[Si](C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3938.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4711.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #2	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4687.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #3	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4719.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #4	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4731.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #5	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4733.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #6	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4738.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,1TBDMS,isomer #7	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4747.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O	4837.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #10	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4807.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #11	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4830.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #12	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4855.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #13	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4825.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #14	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4815.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #15	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4818.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #16	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4836.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #17	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4826.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #18	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4855.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #19	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4862.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4850.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #20	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4863.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #21	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4875.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #22	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4880.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4867.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4844.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4844.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4862.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #7	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4805.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #8	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4828.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,2TBDMS,isomer #9	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4814.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #1	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4886.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #10	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4915.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #11	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4930.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #12	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4968.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #13	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4987.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #14	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4900.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #15	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4921.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #16	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4918.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #17	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4884.3	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #18	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4863.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #19	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4818.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #2	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O	4941.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #20	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4811.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #21	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4848.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #22	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4835.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #23	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4843.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #24	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4871.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #25	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4844.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #26	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4865.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #27	CC1OC(OC2=CC(O)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4864.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #28	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=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)=C4)OC3=C2)C(O)C(O)C1O	4923.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #29	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4886.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #3	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4852.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #30	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4891.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #31	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4918.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #32	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4869.5	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #33	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4872.0	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #34	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4899.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #35	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4868.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #36	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4888.2	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #37	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4882.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #38	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	4904.9	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #39	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	4921.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #4	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4849.4	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #40	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	4926.7	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #41	CC1OC(OC2=CC(O)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)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	4928.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #5	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O[Si](C)(C)C(C)(C)C)=C(C4=CC(O)=C(O)C(O)=C4)OC3=C2)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	4883.6	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #6	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4973.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #7	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O)C1O	4943.8	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #8	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	4877.1	Semi standard non polar	33892256
Myricetin 7-rhamnoside,3TBDMS,isomer #9	CC1OC(OC2=CC(O[Si](C)(C)C(C)(C)C)=C3C(=O)C(O)=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC3=C2)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	4872.8	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 - Myricetin 7-rhamnoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-00kk-9402500000-ad16f09f707ceac6c8bf	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 7-rhamnoside GC-MS (3 TMS) - 70eV, Positive	splash10-014i-7300019000-1447d22b1b61408548f1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 7-rhamnoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 7-rhamnoside GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 10V, Positive-QTOF	splash10-014i-0109600000-bae1f5204b7997250394	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 20V, Positive-QTOF	splash10-0gb9-0109000000-6f94a2fc5f9579df542a	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 40V, Positive-QTOF	splash10-0udr-2936000000-06dade962dc01d2997f6	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 10V, Negative-QTOF	splash10-03xr-1116900000-1ff03679c0673556423c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 20V, Negative-QTOF	splash10-014i-1229200000-5032baac15a010523925	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 40V, Negative-QTOF	splash10-014i-4597000000-bcc518db62cd4fe4dd47	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 10V, Negative-QTOF	splash10-03di-0000900000-74c3971493f6d4d47a9a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 20V, Negative-QTOF	splash10-03di-0031900000-4bc39b768d7e8a671ce9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 40V, Negative-QTOF	splash10-017j-2592300000-185d188e2fb28852323d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 10V, Positive-QTOF	splash10-014i-0000900000-efd108638fa903352a90	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 20V, Positive-QTOF	splash10-014i-0000900000-a7885eb4599ec6acd92d	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 7-rhamnoside 40V, Positive-QTOF	splash10-014j-2091500000-e11b643a2433be8824c1	2021-09-24	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

FDB011133

KNApSAcK ID

C00057173

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76594575

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

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details

1. UDP-glucuronosyltransferase 1-1

General function:: Involved in transferase activity, transferring hexosyl groups
Specific function:: UDPGT is of major importance in the conjugation and subsequent elimination of potentially toxic xenobiotics and endogenous compounds. This isoform glucuronidates bilirubin IX-alpha to form both the IX-alpha-C8 and IX-alpha-C12 monoconjugates and diconjugate. Is also able to catalyze the glucuronidation of 17beta-estradiol, 17alpha-ethinylestradiol, 1-hydroxypyrene, 4-methylumbelliferone, 1-naphthol, paranitrophenol, scopoletin, and umbelliferone.
Gene Name:: UGT1A1
Uniprot ID:: P22309
Molecular weight:: 59590.91

Reactions

Myricetin 7-rhamnoside → 6-(5-{3,5-dihydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,3-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Myricetin 7-rhamnoside → 6-(4-{3,5-dihydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-2-yl}-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid	details
Myricetin 7-rhamnoside → 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl}oxy)oxane-2-carboxylic acid	details
Myricetin 7-rhamnoside → 3,4,5-trihydroxy-6-({3-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-2-(3,4,5-trihydroxyphenyl)-4H-chromen-5-yl}oxy)oxane-2-carboxylic acid	details

Showing metabocard for Myricetin 7-rhamnoside (HMDB0033132)

MOL for HMDB0033132 (Myricetin 7-rhamnoside)

3D MOL for HMDB0033132 (Myricetin 7-rhamnoside)

3D SDF for HMDB0033132 (Myricetin 7-rhamnoside)

3D-SDF for HMDB0033132 (Myricetin 7-rhamnoside)

PDB for HMDB0033132 (Myricetin 7-rhamnoside)

3D PDB for HMDB0033132 (Myricetin 7-rhamnoside)

SMILES for HMDB0033132 (Myricetin 7-rhamnoside)

INCHI for HMDB0033132 (Myricetin 7-rhamnoside)

Structure for HMDB0033132 (Myricetin 7-rhamnoside)

3D Structure for HMDB0033132 (Myricetin 7-rhamnoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

Reactions