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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:28:00 UTC

Update Date

2022-03-07 02:56:46 UTC

HMDB ID

HMDB0040861

Secondary Accession Numbers

HMDB40861

Metabolite Identification

Common Name

Myricetin 3-robinobioside

Description

Myricetin 3-robinobioside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. Myricetin 3-robinobioside has been detected, but not quantified in, fruits and java plums (Syzygium cumini). This could make myricetin 3-robinobioside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Myricetin 3-robinobioside.

Structure

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

  Mrv0541 05061312122D          

 44 48  0  0  0  0            999 V2000
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    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 43 14  1  0  0  0  0
 43 27  1  0  0  0  0
 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END

HMDB0040861
     RDKit          3D
Myricetin 3-robinobioside
 74 78  0  0  0  0  0  0  0  0999 V2000
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 44 74  1  0
M  END

  Mrv0541 05061312122D          

 44 48  0  0  0  0            999 V2000
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   -1.4289   -6.6000    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
    2.8579   -4.9500    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
    0.0000   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    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
  7  1  1  0  0  0  0
  8  2  2  0  0  0  0
  8  3  1  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12  3  2  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15 10  2  0  0  0  0
 15 13  1  0  0  0  0
 16  7  1  0  0  0  0
 17 11  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24  8  1  0  0  0  0
 25 19  1  0  0  0  0
 25 24  2  0  0  0  0
 26 22  1  0  0  0  0
 27 23  1  0  0  0  0
 28  9  1  0  0  0  0
 29 10  1  0  0  0  0
 30 11  1  0  0  0  0
 31 12  1  0  0  0  0
 32 16  1  0  0  0  0
 33 17  1  0  0  0  0
 34 18  1  0  0  0  0
 35 19  2  0  0  0  0
 36 20  1  0  0  0  0
 37 21  1  0  0  0  0
 38 22  1  0  0  0  0
 39 23  1  0  0  0  0
 40  6  1  0  0  0  0
 40 26  1  0  0  0  0
 41  7  1  0  0  0  0
 41 26  1  0  0  0  0
 42 13  1  0  0  0  0
 42 24  1  0  0  0  0
 43 14  1  0  0  0  0
 43 27  1  0  0  0  0
 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040861

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3

> <INCHI_KEY>
QCIILLDRJZPUDI-UHFFFAOYSA-N

> <FORMULA>
C27H30O17

> <MOLECULAR_WEIGHT>
626.5169

> <EXACT_MASS>
626.148299534

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
58.75863423935954

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
0.23

> <JCHEM_LOGP>
-1.1723262966666663

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.077416869682786

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.428092032258092

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6789566937011235

> <JCHEM_POLAR_SURFACE_AREA>
285.75

> <JCHEM_REFRACTIVITY>
142.12599999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.45e+00 g/l

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

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040861
     RDKit          3D
Myricetin 3-robinobioside
 74 78  0  0  0  0  0  0  0  0999 V2000
    4.4487   -0.1409    3.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   -1.0734    2.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6566   -1.9515    1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588   -1.3506    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -0.7891    1.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753   -1.1199    0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -1.0224   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -1.3542   -0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -0.7882   -1.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979   -0.8179   -1.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.2873   -1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176    0.6992   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3984    0.0452    1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6536    0.7066    2.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    0.0946    3.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.7778    4.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066   -1.2455    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -1.8409    4.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -1.9106    2.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -3.2592    2.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -1.2544    1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3523    1.8195   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6733    2.5603   -1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4407    3.7120   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7498    4.4517   -2.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5157    5.5994   -1.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3318    4.1057   -3.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5777    2.9697   -3.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449    2.6010   -4.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2476    2.2013   -2.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869    1.0578   -2.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0801    0.6918   -3.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -1.3688   -2.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -2.1020   -3.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -2.3028   -2.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -2.4223   -3.8692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.8973   -1.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -1.3185   -2.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -0.4073   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6537   -1.1310   -0.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    0.4596    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0951    1.5942    1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4139   -0.3436    1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1398    0.4375    2.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7477    0.4747    2.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    0.5802    3.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.6857    4.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.7011    3.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -2.2147    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039   -0.6344    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4159   -2.2374    1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    0.0324   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697    0.3086   -1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9786    1.7573    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0743    1.7364    4.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -2.7660    5.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -3.7062    3.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -1.8883    0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7586    3.9629    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1109    6.4972   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6109    4.7383   -4.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622    3.1349   -5.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631   -0.5847   -3.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1396   -2.4475   -2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2527   -3.3346   -2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -2.5041   -4.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -2.8448   -1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.3907   -2.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991    0.2840   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8343   -2.0456   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.8598    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146    2.2146    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204   -1.1286    1.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8858    0.8734    2.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 12 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
  9 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  4 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  2  1  0
 37  7  1  0
 31 11  1  0
 21 13  1  0
 30 23  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  4 49  1  0
  6 50  1  0
  6 51  1  0
  7 52  1  0
  9 53  1  0
 14 54  1  0
 16 55  1  0
 18 56  1  0
 20 57  1  0
 21 58  1  0
 24 59  1  0
 26 60  1  0
 27 61  1  0
 29 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
 43 73  1  0
 44 74  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.667  -9.240   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       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.334 -10.010   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000 -12.320   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       0.000 -13.860   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667 -12.320   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    7                                                            
CONECT    2    8   11                                                       
CONECT    3    8   12                                                       
CONECT    4    9   10                                                       
CONECT    5    9   13                                                       
CONECT    6   14   40                                                       
CONECT    7    1   16   41                                                  
CONECT    8    2    3   24                                                  
CONECT    9    4    5   28                                                  
CONECT   10    4   15   29                                                  
CONECT   11    2   17   30                                                  
CONECT   12    3   17   31                                                  
CONECT   13    5   15   42                                                  
CONECT   14    6   18   43                                                  
CONECT   15   10   13   19                                                  
CONECT   16    7   20   32                                                  
CONECT   17   11   12   33                                                  
CONECT   18   14   21   34                                                  
CONECT   19   15   25   35                                                  
CONECT   20   16   22   36                                                  
CONECT   21   18   23   37                                                  
CONECT   22   20   26   38                                                  
CONECT   23   21   27   39                                                  
CONECT   24    8   25   42                                                  
CONECT   25   19   24   44                                                  
CONECT   26   22   40   41                                                  
CONECT   27   23   43   44                                                  
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   11                                                            
CONECT   31   12                                                            
CONECT   32   16                                                            
CONECT   33   17                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   20                                                            
CONECT   37   21                                                            
CONECT   38   22                                                            
CONECT   39   23                                                            
CONECT   40    6   26                                                       
CONECT   41    7   26                                                       
CONECT   42   13   24                                                       
CONECT   43   14   27                                                       
CONECT   44   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0040861
HETATM    1  C1  UNL     1       4.449  -0.141   3.411  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.303  -1.073   2.620  1.00  0.00           C  
HETATM    3  O1  UNL     1       4.657  -1.951   1.807  1.00  0.00           O  
HETATM    4  C3  UNL     1       3.959  -1.351   0.729  1.00  0.00           C  
HETATM    5  O2  UNL     1       2.810  -0.789   1.112  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.575  -1.120   0.812  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.056  -1.022  -0.578  1.00  0.00           C  
HETATM    8  O3  UNL     1      -0.337  -1.354  -0.506  1.00  0.00           O  
HETATM    9  C6  UNL     1      -0.968  -0.788  -1.566  1.00  0.00           C  
HETATM   10  O4  UNL     1      -2.398  -0.818  -1.506  1.00  0.00           O  
HETATM   11  C7  UNL     1      -3.159   0.287  -1.333  1.00  0.00           C  
HETATM   12  C8  UNL     1      -3.618   0.699  -0.113  1.00  0.00           C  
HETATM   13  C9  UNL     1      -3.398   0.045   1.157  1.00  0.00           C  
HETATM   14  C10 UNL     1      -3.654   0.707   2.344  1.00  0.00           C  
HETATM   15  C11 UNL     1      -3.517   0.095   3.562  1.00  0.00           C  
HETATM   16  O5  UNL     1      -3.780   0.778   4.742  1.00  0.00           O  
HETATM   17  C12 UNL     1      -3.107  -1.245   3.620  1.00  0.00           C  
HETATM   18  O6  UNL     1      -2.976  -1.841   4.859  1.00  0.00           O  
HETATM   19  C13 UNL     1      -2.851  -1.911   2.461  1.00  0.00           C  
HETATM   20  O7  UNL     1      -2.435  -3.259   2.465  1.00  0.00           O  
HETATM   21  C14 UNL     1      -3.001  -1.254   1.233  1.00  0.00           C  
HETATM   22  O8  UNL     1      -4.352   1.819  -0.038  1.00  0.00           O  
HETATM   23  C15 UNL     1      -4.673   2.560  -1.056  1.00  0.00           C  
HETATM   24  C16 UNL     1      -5.441   3.712  -0.903  1.00  0.00           C  
HETATM   25  C17 UNL     1      -5.750   4.452  -2.001  1.00  0.00           C  
HETATM   26  O9  UNL     1      -6.516   5.599  -1.842  1.00  0.00           O  
HETATM   27  C18 UNL     1      -5.332   4.106  -3.270  1.00  0.00           C  
HETATM   28  C19 UNL     1      -4.578   2.970  -3.396  1.00  0.00           C  
HETATM   29  O10 UNL     1      -4.145   2.601  -4.657  1.00  0.00           O  
HETATM   30  C20 UNL     1      -4.248   2.201  -2.311  1.00  0.00           C  
HETATM   31  C21 UNL     1      -3.487   1.058  -2.444  1.00  0.00           C  
HETATM   32  O11 UNL     1      -3.080   0.692  -3.558  1.00  0.00           O  
HETATM   33  C22 UNL     1      -0.480  -1.369  -2.848  1.00  0.00           C  
HETATM   34  O12 UNL     1      -1.560  -2.102  -3.423  1.00  0.00           O  
HETATM   35  C23 UNL     1       0.645  -2.303  -2.666  1.00  0.00           C  
HETATM   36  O13 UNL     1       1.337  -2.422  -3.869  1.00  0.00           O  
HETATM   37  C24 UNL     1       1.673  -1.897  -1.612  1.00  0.00           C  
HETATM   38  O14 UNL     1       2.755  -1.318  -2.244  1.00  0.00           O  
HETATM   39  C25 UNL     1       4.873  -0.407  -0.026  1.00  0.00           C  
HETATM   40  O15 UNL     1       5.654  -1.131  -0.920  1.00  0.00           O  
HETATM   41  C26 UNL     1       5.734   0.460   0.813  1.00  0.00           C  
HETATM   42  O16 UNL     1       5.095   1.594   1.306  1.00  0.00           O  
HETATM   43  C27 UNL     1       6.414  -0.344   1.870  1.00  0.00           C  
HETATM   44  O17 UNL     1       7.140   0.438   2.770  1.00  0.00           O  
HETATM   45  H1  UNL     1       3.748   0.475   2.851  1.00  0.00           H  
HETATM   46  H2  UNL     1       5.156   0.580   3.918  1.00  0.00           H  
HETATM   47  H3  UNL     1       3.963  -0.686   4.261  1.00  0.00           H  
HETATM   48  H4  UNL     1       5.854  -1.701   3.381  1.00  0.00           H  
HETATM   49  H5  UNL     1       3.787  -2.215   0.057  1.00  0.00           H  
HETATM   50  H6  UNL     1       0.804  -0.634   1.528  1.00  0.00           H  
HETATM   51  H7  UNL     1       1.416  -2.237   1.092  1.00  0.00           H  
HETATM   52  H8  UNL     1       1.076   0.032  -0.902  1.00  0.00           H  
HETATM   53  H9  UNL     1      -0.670   0.309  -1.560  1.00  0.00           H  
HETATM   54  H10 UNL     1      -3.979   1.757   2.342  1.00  0.00           H  
HETATM   55  H11 UNL     1      -4.074   1.736   4.724  1.00  0.00           H  
HETATM   56  H12 UNL     1      -2.698  -2.766   5.061  1.00  0.00           H  
HETATM   57  H13 UNL     1      -2.335  -3.706   3.343  1.00  0.00           H  
HETATM   58  H14 UNL     1      -2.796  -1.888   0.377  1.00  0.00           H  
HETATM   59  H15 UNL     1      -5.759   3.963   0.106  1.00  0.00           H  
HETATM   60  H16 UNL     1      -6.111   6.497  -1.674  1.00  0.00           H  
HETATM   61  H17 UNL     1      -5.611   4.738  -4.114  1.00  0.00           H  
HETATM   62  H18 UNL     1      -4.362   3.135  -5.492  1.00  0.00           H  
HETATM   63  H19 UNL     1      -0.263  -0.585  -3.617  1.00  0.00           H  
HETATM   64  H20 UNL     1      -2.140  -2.447  -2.673  1.00  0.00           H  
HETATM   65  H21 UNL     1       0.253  -3.335  -2.445  1.00  0.00           H  
HETATM   66  H22 UNL     1       0.659  -2.504  -4.608  1.00  0.00           H  
HETATM   67  H23 UNL     1       1.985  -2.845  -1.151  1.00  0.00           H  
HETATM   68  H24 UNL     1       2.503  -0.391  -2.477  1.00  0.00           H  
HETATM   69  H25 UNL     1       4.199   0.284  -0.611  1.00  0.00           H  
HETATM   70  H26 UNL     1       5.834  -2.046  -0.574  1.00  0.00           H  
HETATM   71  H27 UNL     1       6.550   0.860   0.138  1.00  0.00           H  
HETATM   72  H28 UNL     1       5.815   2.215   1.608  1.00  0.00           H  
HETATM   73  H29 UNL     1       7.020  -1.129   1.377  1.00  0.00           H  
HETATM   74  H30 UNL     1       7.886   0.873   2.275  1.00  0.00           H  
CONECT    1    2   45   46   47
CONECT    2    3   43   48
CONECT    3    4
CONECT    4    5   39   49
CONECT    5    6
CONECT    6    7   50   51
CONECT    7    8   37   52
CONECT    8    9
CONECT    9   10   33   53
CONECT   10   11
CONECT   11   12   12   31
CONECT   12   13   22
CONECT   13   14   14   21
CONECT   14   15   54
CONECT   15   16   17   17
CONECT   16   55
CONECT   17   18   19
CONECT   18   56
CONECT   19   20   21   21
CONECT   20   57
CONECT   21   58
CONECT   22   23
CONECT   23   24   24   30
CONECT   24   25   59
CONECT   25   26   27   27
CONECT   26   60
CONECT   27   28   61
CONECT   28   29   30   30
CONECT   29   62
CONECT   30   31
CONECT   31   32   32
CONECT   33   34   35   63
CONECT   34   64
CONECT   35   36   37   65
CONECT   36   66
CONECT   37   38   67
CONECT   38   68
CONECT   39   40   41   69
CONECT   40   70
CONECT   41   42   43   71
CONECT   42   72
CONECT   43   44   73
CONECT   44   74
END

HMDB0040861
     RDKit          3D
Myricetin 3-robinobioside
 74 78  0  0  0  0  0  0  0  0999 V2000
    4.4487   -0.1409    3.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3026   -1.0734    2.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6566   -1.9515    1.8071 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588   -1.3506    0.7287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -0.7891    1.1116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5753   -1.1199    0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0559   -1.0224   -0.5776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366   -1.3542   -0.5059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -0.7882   -1.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979   -0.8179   -1.5063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586    0.2873   -1.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6176    0.6992   -0.1126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3984    0.0452    1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6536    0.7066    2.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5175    0.0946    3.5619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.7778    4.7417 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066   -1.2455    3.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9761   -1.8409    4.8592 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8514   -1.9106    2.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4350   -3.2592    2.4646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014   -1.2544    1.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3523    1.8195   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6733    2.5603   -1.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4407    3.7120   -0.9027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7498    4.4517   -2.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5157    5.5994   -1.8419 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3318    4.1057   -3.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5777    2.9697   -3.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449    2.6010   -4.6566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2476    2.2013   -2.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869    1.0578   -2.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0801    0.6918   -3.5584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4802   -1.3688   -2.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5596   -2.1020   -3.4234 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6446   -2.3028   -2.6658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3375   -2.4223   -3.8692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734   -1.8973   -1.6121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -1.3185   -2.2439 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8729   -0.4073   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6537   -1.1310   -0.9201 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    0.4596    0.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0951    1.5942    1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4139   -0.3436    1.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1398    0.4375    2.7695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7477    0.4747    2.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1557    0.5802    3.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629   -0.6857    4.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8542   -1.7011    3.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7867   -2.2147    0.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8039   -0.6344    1.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4159   -2.2374    1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    0.0324   -0.9022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6697    0.3086   -1.5595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9786    1.7573    2.3421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0743    1.7364    4.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6975   -2.7660    5.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3347   -3.7062    3.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7963   -1.8883    0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7586    3.9629    0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1109    6.4972   -1.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6109    4.7383   -4.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3622    3.1349   -5.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2631   -0.5847   -3.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1396   -2.4475   -2.6733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2527   -3.3346   -2.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6595   -2.5041   -4.6078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9847   -2.8448   -1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5032   -0.3907   -2.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991    0.2840   -0.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8343   -2.0456   -0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5502    0.8598    0.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8146    2.2146    1.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0204   -1.1286    1.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8858    0.8734    2.2745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 12 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
  9 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  4 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43  2  1  0
 37  7  1  0
 31 11  1  0
 21 13  1  0
 30 23  1  0
  1 45  1  0
  1 46  1  0
  1 47  1  0
  2 48  1  0
  4 49  1  0
  6 50  1  0
  6 51  1  0
  7 52  1  0
  9 53  1  0
 14 54  1  0
 16 55  1  0
 18 56  1  0
 20 57  1  0
 21 58  1  0
 24 59  1  0
 26 60  1  0
 27 61  1  0
 29 62  1  0
 33 63  1  0
 34 64  1  0
 35 65  1  0
 36 66  1  0
 37 67  1  0
 38 68  1  0
 39 69  1  0
 40 70  1  0
 41 71  1  0
 42 72  1  0
 43 73  1  0
 44 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one	HMDB

Chemical Formula

C₂₇H₃₀O₁₇

Average Molecular Weight

626.5169

Monoisotopic Molecular Weight

626.148299534

IUPAC Name

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

Traditional Name

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

CAS Registry Number

145544-43-0

SMILES

CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O17/c1-7-16(32)20(36)22(38)26(41-7)40-6-14-18(34)21(37)23(39)27(43-14)44-25-19(35)15-10(29)4-9(28)5-13(15)42-24(25)8-2-11(30)17(33)12(31)3-8/h2-5,7,14,16,18,20-23,26-34,36-39H,6H2,1H3

InChI Key

QCIILLDRJZPUDI-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Exogenous (HMDB: HMDB0040861)

Food

Fruit

Berry

Blackcurrant (FooDB: FOOD00155)

Tea

Tea (FooDB: FOOD00038)
Black tea (FooDB: FOOD00907)
Green tea (FooDB: FOOD00908)

Process

Not Available

Role

Not Available

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	4.45 g/L	ALOGPS
logP	0.23	ALOGPS
logP	-1.2	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	11	ChemAxon
Polar Surface Area	285.75 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	142.13 m³·mol⁻¹	ChemAxon
Polarizability	58.76 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	226.259	30932474
DeepCCS	[M-H]-	224.435	30932474
DeepCCS	[M-2H]-	257.676	30932474
DeepCCS	[M+Na]+	231.928	30932474
AllCCS	[M+H]+	233.3	32859911
AllCCS	[M+H-H2O]+	232.2	32859911
AllCCS	[M+NH4]+	234.3	32859911
AllCCS	[M+Na]+	234.6	32859911
AllCCS	[M-H]-	230.4	32859911
AllCCS	[M+Na-2H]-	232.6	32859911
AllCCS	[M+HCOO]-	235.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 3-robinobioside	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	6452.0	Standard polar	33892256
Myricetin 3-robinobioside	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	5345.7	Standard non polar	33892256
Myricetin 3-robinobioside	CC1OC(OCC2OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C(O)=C3)C(O)C(O)C2O)C(O)C(O)C1O	5828.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Myricetin 3-robinobioside,1TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5727.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5681.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5698.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5696.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5680.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5703.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5682.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5681.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5683.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5669.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5629.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5617.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5596.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5647.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5623.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5627.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5627.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5607.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5627.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5611.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5564.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5613.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5622.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5593.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5600.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5600.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5576.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5601.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5601.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5571.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5579.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5565.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5645.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5542.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5580.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5648.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5638.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5628.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5615.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5622.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5631.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5609.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5593.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5663.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5606.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5612.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5598.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5607.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5621.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5606.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5618.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5638.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5641.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5641.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5625.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5639.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5478.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5430.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #100	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5455.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #101	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5408.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #102	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5365.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #103	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5429.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #104	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5438.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #105	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5399.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #106	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5459.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #107	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5427.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #108	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5428.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #109	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5423.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5487.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #110	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5610.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #111	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5541.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #112	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5521.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #113	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5548.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #114	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5554.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #115	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5535.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #116	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5555.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #117	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5535.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #118	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5529.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #119	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5525.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5429.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #120	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5523.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #121	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5503.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #122	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5530.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #123	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5507.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #124	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5505.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #125	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5497.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #126	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5519.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #127	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5513.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #128	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5511.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #129	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5526.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5467.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5449.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5393.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5465.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5550.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5514.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5533.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5445.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5523.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5488.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5535.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5568.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5571.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5563.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5536.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5563.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5547.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5531.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5472.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5504.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5539.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5546.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5522.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5551.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5541.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5533.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5531.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5451.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5416.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5513.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5493.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5444.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5474.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5452.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5409.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5475.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5462.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #47	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5404.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #48	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5442.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #49	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5418.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5465.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #50	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5363.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #51	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5441.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #52	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5545.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #53	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5554.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #54	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5529.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #55	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5501.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #56	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5538.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #57	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5525.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #58	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5498.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #59	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5468.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5495.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #60	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5513.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #61	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5513.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #62	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5487.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #63	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5524.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #64	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5508.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #65	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5501.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #66	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5503.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #67	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5436.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #68	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5482.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #69	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5434.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5480.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #70	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5463.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #71	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5439.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #72	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5395.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #73	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5462.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #74	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O	5459.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #75	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5409.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #76	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5439.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #77	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5413.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #78	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5369.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #79	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5438.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5437.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #80	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5495.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #81	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5508.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #82	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5482.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #83	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5450.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #84	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5496.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #85	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5473.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #86	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C(O)C1O	5440.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #87	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O[Si](C)(C)C)C1O	5401.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #88	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C	5457.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #89	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5464.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5495.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #90	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5430.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #91	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5479.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #92	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5453.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #93	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5451.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #94	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5447.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #95	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C(O)C1O	5474.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #96	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C(O)C1O	5485.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #97	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C(O)C1O	5458.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #98	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C)C1O	5421.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,3TMS,isomer #99	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C	5477.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5904.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5912.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5887.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5883.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5914.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5925.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5909.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5901.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5913.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,1TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5900.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #1	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5982.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #10	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5962.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #11	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5966.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #12	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	6010.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #13	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5991.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #14	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5984.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #15	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5976.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #16	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5959.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #17	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5997.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #18	CC1OC(OCC2OC(OC3=C(C4=CC(O[Si](C)(C)C(C)(C)C)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5956.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #19	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5938.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #2	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5986.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #20	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5983.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #21	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5963.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #22	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5957.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #23	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5944.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #24	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5925.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #25	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5968.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #26	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	5991.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #27	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	5972.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #28	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5967.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #29	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5939.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #3	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O	5995.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #30	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5929.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #31	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5979.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #32	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	6031.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #33	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	6024.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #34	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	6004.4	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #35	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5984.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #36	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6009.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #37	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	6013.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #38	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5978.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #39	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5970.1	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #4	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C(O)C1O	6035.7	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #40	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5996.3	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #41	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5980.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #42	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5960.9	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #43	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5984.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #44	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5990.5	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #45	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5988.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #46	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	6001.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #5	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C(O)C1O	6015.6	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #6	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	6009.2	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #7	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5998.8	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #8	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5986.0	Semi standard non polar	33892256
Myricetin 3-robinobioside,2TBDMS,isomer #9	CC1OC(OCC2OC(OC3=C(C4=CC(O)=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C(O)C(O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	6020.4	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 3-robinobioside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-7592136000-8893ebebecb306a19385	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (1 TMS) - 70eV, Positive	splash10-053r-6471009000-126bec74ad9645897711	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Myricetin 3-robinobioside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	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 3-robinobioside 10V, Positive-QTOF	splash10-066r-0109105000-6724da3b9770a6f87b16	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 20V, Positive-QTOF	splash10-014i-0209100000-1a2fc322c554f0bea552	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 40V, Positive-QTOF	splash10-0uxr-1918000000-530299b7f27094d08e6e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 10V, Negative-QTOF	splash10-00or-4437219000-4e0c39c41233aefdaa99	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 20V, Negative-QTOF	splash10-014j-3539001000-5951c8441953d75e002f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 40V, Negative-QTOF	splash10-014i-4967000000-cf7c26c40d2914fd0ff3	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 10V, Positive-QTOF	splash10-014i-0009002000-3b7193fd1f933b056892	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 20V, Positive-QTOF	splash10-0190-0009009000-a5253514ab68ccfdfc61	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 40V, Positive-QTOF	splash10-014i-0009000000-f926ef52b5f0c4a4b877	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 10V, Negative-QTOF	splash10-004i-0000009000-43724950f48e7692052a	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 20V, Negative-QTOF	splash10-00or-0005009000-a54170072ae4f2df0706	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Myricetin 3-robinobioside 40V, Negative-QTOF	splash10-014i-0019001000-7a03a2a4af60f477bb1a	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	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

308

FooDB ID

FDB020689

KNApSAcK ID

C00005735

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

73803273

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.. .

Showing metabocard for Myricetin 3-robinobioside (HMDB0040861)

MOL for HMDB0040861 (Myricetin 3-robinobioside)

3D MOL for HMDB0040861 (Myricetin 3-robinobioside)

3D SDF for HMDB0040861 (Myricetin 3-robinobioside)

3D-SDF for HMDB0040861 (Myricetin 3-robinobioside)

PDB for HMDB0040861 (Myricetin 3-robinobioside)

3D PDB for HMDB0040861 (Myricetin 3-robinobioside)

SMILES for HMDB0040861 (Myricetin 3-robinobioside)

INCHI for HMDB0040861 (Myricetin 3-robinobioside)

Structure for HMDB0040861 (Myricetin 3-robinobioside)

3D Structure for HMDB0040861 (Myricetin 3-robinobioside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra