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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 03:02:12 UTC

Update Date

2022-03-07 02:56:59 UTC

HMDB ID

HMDB0041358

Secondary Accession Numbers

HMDB41358

Metabolite Identification

Common Name

Quercetin 3-beta-laminaribioside

Description

Quercetin 3-beta-laminaribioside 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. Quercetin 3-beta-laminaribioside has been detected, but not quantified in, green vegetables and root vegetables. This could make quercetin 3-beta-laminaribioside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Quercetin 3-beta-laminaribioside.

Structure

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


  Mrv0541 05061312362D          

 44 48  0  0  0  0            999 V2000
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 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END

HMDB0041358
     RDKit          3D
Quercetin 3-beta-laminaribioside
 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 05061312362D          

 44 48  0  0  0  0            999 V2000
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    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    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
    5.7158   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    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    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -5.3625    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
    4.2868   -4.1250    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
  2  1  2  0  0  0  0
  8  1  1  0  0  0  0
  8  3  2  0  0  0  0
  9  4  2  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11 10  2  0  0  0  0
 12  4  1  0  0  0  0
 13  5  2  0  0  0  0
 14  6  1  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 16 13  1  0  0  0  0
 17 14  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 23  8  1  0  0  0  0
 24 18  1  0  0  0  0
 24 22  1  0  0  0  0
 25 19  1  0  0  0  0
 25 23  2  0  0  0  0
 26 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28  6  1  0  0  0  0
 29  7  1  0  0  0  0
 30  9  1  0  0  0  0
 31 10  1  0  0  0  0
 32 11  1  0  0  0  0
 33 12  1  0  0  0  0
 34 17  1  0  0  0  0
 35 18  1  0  0  0  0
 36 19  2  0  0  0  0
 37 20  1  0  0  0  0
 38 21  1  0  0  0  0
 39 22  1  0  0  0  0
 40 13  1  0  0  0  0
 40 23  1  0  0  0  0
 41 14  1  0  0  0  0
 41 26  1  0  0  0  0
 42 15  1  0  0  0  0
 42 27  1  0  0  0  0
 43 24  1  0  0  0  0
 43 26  1  0  0  0  0
 44 25  1  0  0  0  0
 44 27  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0041358

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2

> <INCHI_KEY>
RAMYMBNTEMMDSX-UHFFFAOYSA-N

> <FORMULA>
C27H30O17

> <MOLECULAR_WEIGHT>
626.5169

> <EXACT_MASS>
626.148299534

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
59.07284620672378

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
11

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.51

> <JCHEM_LOGP>
-1.9156709416666673

> <ALOGPS_LOGS>
-1.95

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.451078945054988

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433961171636715

> <JCHEM_PKA_STRONGEST_BASIC>
-3.655263276921704

> <JCHEM_POLAR_SURFACE_AREA>
285.75

> <JCHEM_REFRACTIVITY>
141.68879999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.05e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0041358
     RDKit          3D
Quercetin 3-beta-laminaribioside
 74 78  0  0  0  0  0  0  0  0999 V2000
    0.7326    0.2630    2.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    0.3573    2.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634    0.4104    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562    0.3454    0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -0.8159   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587   -1.2794    0.9346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -2.4701    0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4608   -2.8769    1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896   -1.9038    2.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -2.3633   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -3.3353   -1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.9924   -1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -0.0486   -0.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864    0.4612   -1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752   -0.0039   -0.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5470    0.0535   -1.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7153   -1.3401   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9774   -2.2507   -0.9427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3571    1.0119   -2.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6475    1.4487   -2.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5874    2.2449   -2.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    2.6978   -3.3418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    1.9431   -1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    2.6807   -1.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.5855   -1.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514    0.7173   -1.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716    0.5151    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    0.5860   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742    0.6434   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    0.7170   -1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    0.7387   -2.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    0.8145   -4.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161    0.6840   -2.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.6981   -3.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    0.6099   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5373    0.5651    2.0962 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.5154    3.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788    0.5666    4.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.5120    5.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    0.5627    6.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3474    0.4058    6.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.3552    4.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    0.2486    5.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8318    0.4094    3.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -1.5932   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -3.2378    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7773   -2.9843    2.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -3.8244    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -1.1174    2.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288   -2.5651   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1729   -2.9132   -2.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115   -1.0737   -2.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678    0.0593   -2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120    0.2820   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4672   -1.3867   -2.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7529   -1.6893   -2.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9684   -2.2785   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9569    0.4819   -3.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2117    1.5490   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181    3.0516   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5848    3.3699   -3.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868    2.2761   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    3.1870   -2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838   -1.2151   -2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868    0.7987   -2.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2582    0.6316    0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797    0.7613   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2635    0.8577   -4.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    0.7541   -4.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5475    0.6021   -1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    0.6510    4.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8418    1.4841    7.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.3645    7.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.1996    6.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
  3 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  2  0
 27 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 44  2  1  0
 25  5  1  0
 35 28  1  0
 44 37  1  0
 23 14  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 14 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 21 60  1  0
 22 61  1  0
 23 62  1  0
 24 63  1  0
 25 64  1  0
 26 65  1  0
 29 66  1  0
 30 67  1  0
 32 68  1  0
 34 69  1  0
 35 70  1  0
 38 71  1  0
 40 72  1  0
 41 73  1  0
 43 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       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.668   2.310   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       5.335 -12.320   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -7.700   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       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -3.080   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       6.668 -11.550   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002 -12.320   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       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668  -6.930   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       8.002  -9.240   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       5.335 -13.860   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       8.002 -13.860   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0      10.669 -12.320   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0      10.669  -9.240   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   0.000   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0       8.002  -7.700   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    2    8                                                       
CONECT    2    1   10                                                       
CONECT    3    8   11                                                       
CONECT    4    9   12                                                       
CONECT    5    9   13                                                       
CONECT    6   14   28                                                       
CONECT    7   15   29                                                       
CONECT    8    1    3   23                                                  
CONECT    9    4    5   30                                                  
CONECT   10    2   11   31                                                  
CONECT   11    3   10   32                                                  
CONECT   12    4   16   33                                                  
CONECT   13    5   16   40                                                  
CONECT   14    6   17   41                                                  
CONECT   15    7   18   42                                                  
CONECT   16   12   13   19                                                  
CONECT   17   14   20   34                                                  
CONECT   18   15   24   35                                                  
CONECT   19   16   25   36                                                  
CONECT   20   17   21   37                                                  
CONECT   21   20   26   38                                                  
CONECT   22   24   27   39                                                  
CONECT   23    8   25   40                                                  
CONECT   24   18   22   43                                                  
CONECT   25   19   23   44                                                  
CONECT   26   21   41   43                                                  
CONECT   27   22   42   44                                                  
CONECT   28    6                                                            
CONECT   29    7                                                            
CONECT   30    9                                                            
CONECT   31   10                                                            
CONECT   32   11                                                            
CONECT   33   12                                                            
CONECT   34   17                                                            
CONECT   35   18                                                            
CONECT   36   19                                                            
CONECT   37   20                                                            
CONECT   38   21                                                            
CONECT   39   22                                                            
CONECT   40   13   23                                                       
CONECT   41   14   26                                                       
CONECT   42   15   27                                                       
CONECT   43   24   26                                                       
CONECT   44   25   27                                                       
MASTER        0    0    0    0    0    0    0    0   44    0   96    0
END

COMPND    HMDB0041358
HETATM    1  O1  UNL     1       0.733   0.263   2.882  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.935   0.357   2.631  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.363   0.410   1.277  1.00  0.00           C  
HETATM    4  O2  UNL     1       1.356   0.345   0.380  1.00  0.00           O  
HETATM    5  C3  UNL     1       0.735  -0.816  -0.143  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.059  -1.279   0.935  1.00  0.00           O  
HETATM    7  C4  UNL     1      -0.700  -2.470   0.628  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.461  -2.877   1.874  1.00  0.00           C  
HETATM    9  O4  UNL     1      -2.390  -1.904   2.229  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.576  -2.363  -0.579  1.00  0.00           C  
HETATM   11  O5  UNL     1      -1.238  -3.335  -1.510  1.00  0.00           O  
HETATM   12  C7  UNL     1      -1.503  -0.992  -1.221  1.00  0.00           C  
HETATM   13  O6  UNL     1      -2.220  -0.049  -0.473  1.00  0.00           O  
HETATM   14  C8  UNL     1      -3.286   0.461  -1.162  1.00  0.00           C  
HETATM   15  O7  UNL     1      -4.475  -0.004  -0.521  1.00  0.00           O  
HETATM   16  C9  UNL     1      -5.547   0.053  -1.400  1.00  0.00           C  
HETATM   17  C10 UNL     1      -5.715  -1.340  -1.971  1.00  0.00           C  
HETATM   18  O8  UNL     1      -5.977  -2.251  -0.943  1.00  0.00           O  
HETATM   19  C11 UNL     1      -5.357   1.012  -2.523  1.00  0.00           C  
HETATM   20  O9  UNL     1      -6.648   1.449  -2.910  1.00  0.00           O  
HETATM   21  C12 UNL     1      -4.587   2.245  -2.153  1.00  0.00           C  
HETATM   22  O10 UNL     1      -3.979   2.698  -3.342  1.00  0.00           O  
HETATM   23  C13 UNL     1      -3.431   1.943  -1.186  1.00  0.00           C  
HETATM   24  O11 UNL     1      -2.322   2.681  -1.479  1.00  0.00           O  
HETATM   25  C14 UNL     1      -0.052  -0.586  -1.363  1.00  0.00           C  
HETATM   26  O12 UNL     1      -0.051   0.717  -1.858  1.00  0.00           O  
HETATM   27  C15 UNL     1       3.672   0.515   1.044  1.00  0.00           C  
HETATM   28  C16 UNL     1       4.282   0.586  -0.276  1.00  0.00           C  
HETATM   29  C17 UNL     1       5.674   0.643  -0.381  1.00  0.00           C  
HETATM   30  C18 UNL     1       6.292   0.717  -1.602  1.00  0.00           C  
HETATM   31  C19 UNL     1       5.585   0.739  -2.789  1.00  0.00           C  
HETATM   32  O13 UNL     1       6.255   0.814  -4.025  1.00  0.00           O  
HETATM   33  C20 UNL     1       4.216   0.684  -2.715  1.00  0.00           C  
HETATM   34  O14 UNL     1       3.440   0.698  -3.884  1.00  0.00           O  
HETATM   35  C21 UNL     1       3.604   0.610  -1.453  1.00  0.00           C  
HETATM   36  O15 UNL     1       4.537   0.565   2.096  1.00  0.00           O  
HETATM   37  C22 UNL     1       4.160   0.515   3.330  1.00  0.00           C  
HETATM   38  C23 UNL     1       5.079   0.567   4.362  1.00  0.00           C  
HETATM   39  C24 UNL     1       4.678   0.512   5.688  1.00  0.00           C  
HETATM   40  O16 UNL     1       5.616   0.563   6.731  1.00  0.00           O  
HETATM   41  C25 UNL     1       3.347   0.406   6.001  1.00  0.00           C  
HETATM   42  C26 UNL     1       2.427   0.355   4.995  1.00  0.00           C  
HETATM   43  O17 UNL     1       1.069   0.249   5.240  1.00  0.00           O  
HETATM   44  C27 UNL     1       2.832   0.409   3.648  1.00  0.00           C  
HETATM   45  H1  UNL     1       1.496  -1.593  -0.256  1.00  0.00           H  
HETATM   46  H2  UNL     1       0.073  -3.238   0.449  1.00  0.00           H  
HETATM   47  H3  UNL     1      -0.777  -2.984   2.743  1.00  0.00           H  
HETATM   48  H4  UNL     1      -1.957  -3.824   1.711  1.00  0.00           H  
HETATM   49  H5  UNL     1      -1.932  -1.117   2.633  1.00  0.00           H  
HETATM   50  H6  UNL     1      -2.629  -2.565  -0.254  1.00  0.00           H  
HETATM   51  H7  UNL     1      -1.173  -2.913  -2.405  1.00  0.00           H  
HETATM   52  H8  UNL     1      -2.011  -1.074  -2.200  1.00  0.00           H  
HETATM   53  H9  UNL     1      -3.368   0.059  -2.190  1.00  0.00           H  
HETATM   54  H10 UNL     1      -6.512   0.282  -0.858  1.00  0.00           H  
HETATM   55  H11 UNL     1      -6.467  -1.387  -2.781  1.00  0.00           H  
HETATM   56  H12 UNL     1      -4.753  -1.689  -2.429  1.00  0.00           H  
HETATM   57  H13 UNL     1      -6.968  -2.279  -0.805  1.00  0.00           H  
HETATM   58  H14 UNL     1      -4.957   0.482  -3.395  1.00  0.00           H  
HETATM   59  H15 UNL     1      -7.212   1.549  -2.101  1.00  0.00           H  
HETATM   60  H16 UNL     1      -5.218   3.052  -1.734  1.00  0.00           H  
HETATM   61  H17 UNL     1      -4.585   3.370  -3.779  1.00  0.00           H  
HETATM   62  H18 UNL     1      -3.787   2.276  -0.166  1.00  0.00           H  
HETATM   63  H19 UNL     1      -2.365   3.187  -2.332  1.00  0.00           H  
HETATM   64  H20 UNL     1       0.384  -1.215  -2.196  1.00  0.00           H  
HETATM   65  H21 UNL     1       0.287   0.799  -2.786  1.00  0.00           H  
HETATM   66  H22 UNL     1       6.258   0.632   0.528  1.00  0.00           H  
HETATM   67  H23 UNL     1       7.380   0.761  -1.676  1.00  0.00           H  
HETATM   68  H24 UNL     1       7.264   0.858  -4.002  1.00  0.00           H  
HETATM   69  H25 UNL     1       3.977   0.754  -4.762  1.00  0.00           H  
HETATM   70  H26 UNL     1       2.548   0.602  -1.481  1.00  0.00           H  
HETATM   71  H27 UNL     1       6.139   0.651   4.147  1.00  0.00           H  
HETATM   72  H28 UNL     1       5.842   1.484   7.078  1.00  0.00           H  
HETATM   73  H29 UNL     1       3.017   0.365   7.022  1.00  0.00           H  
HETATM   74  H30 UNL     1       0.696   0.200   6.164  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   44
CONECT    3    4   27   27
CONECT    4    5
CONECT    5    6   25   45
CONECT    6    7
CONECT    7    8   10   46
CONECT    8    9   47   48
CONECT    9   49
CONECT   10   11   12   50
CONECT   11   51
CONECT   12   13   25   52
CONECT   13   14
CONECT   14   15   23   53
CONECT   15   16
CONECT   16   17   19   54
CONECT   17   18   55   56
CONECT   18   57
CONECT   19   20   21   58
CONECT   20   59
CONECT   21   22   23   60
CONECT   22   61
CONECT   23   24   62
CONECT   24   63
CONECT   25   26   64
CONECT   26   65
CONECT   27   28   36
CONECT   28   29   29   35
CONECT   29   30   66
CONECT   30   31   31   67
CONECT   31   32   33
CONECT   32   68
CONECT   33   34   35   35
CONECT   34   69
CONECT   35   70
CONECT   36   37
CONECT   37   38   38   44
CONECT   38   39   71
CONECT   39   40   41   41
CONECT   40   72
CONECT   41   42   73
CONECT   42   43   44   44
CONECT   43   74
END

HMDB0041358
     RDKit          3D
Quercetin 3-beta-laminaribioside
 74 78  0  0  0  0  0  0  0  0999 V2000
    0.7326    0.2630    2.8819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348    0.3573    2.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3634    0.4104    1.2767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3562    0.3454    0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7354   -0.8159   -0.1431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0587   -1.2794    0.9346 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6996   -2.4701    0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4608   -2.8769    1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896   -1.9038    2.2289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5758   -2.3633   -0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2381   -3.3353   -1.5099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032   -0.9924   -1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2202   -0.0486   -0.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2864    0.4612   -1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4752   -0.0039   -0.5206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5470    0.0535   -1.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7153   -1.3401   -1.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9774   -2.2507   -0.9427 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3571    1.0119   -2.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6475    1.4487   -2.9096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5874    2.2449   -2.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9790    2.6978   -3.3418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4312    1.9431   -1.1855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3219    2.6807   -1.4788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0517   -0.5855   -1.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0514    0.7173   -1.8582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6716    0.5151    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2819    0.5860   -0.2758 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6742    0.6434   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2917    0.7170   -1.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5849    0.7387   -2.7893 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2551    0.8145   -4.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2161    0.6840   -2.7154 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    0.6981   -3.8842 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6038    0.6099   -1.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5373    0.5651    2.0962 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1595    0.5154    3.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0788    0.5666    4.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.5120    5.6879 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6159    0.5627    6.7312 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3474    0.4058    6.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4266    0.3552    4.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    0.2486    5.2397 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8318    0.4094    3.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4963   -1.5932   -0.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0732   -3.2378    0.4487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7773   -2.9843    2.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9569   -3.8244    1.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9315   -1.1174    2.6333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6288   -2.5651   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1729   -2.9132   -2.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0115   -1.0737   -2.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3678    0.0593   -2.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5120    0.2820   -0.8580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4672   -1.3867   -2.7808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7529   -1.6893   -2.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9684   -2.2785   -0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9569    0.4819   -3.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2117    1.5490   -2.1008 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2181    3.0516   -1.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5848    3.3699   -3.7787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7868    2.2761   -0.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3655    3.1870   -2.3322 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3838   -1.2151   -2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868    0.7987   -2.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2582    0.6316    0.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3797    0.7613   -1.6758 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2635    0.8577   -4.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9772    0.7541   -4.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5475    0.6021   -1.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    0.6510    4.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8418    1.4841    7.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0167    0.3645    7.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955    0.1996    6.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 12 25  1  0
 25 26  1  0
  3 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 33 35  2  0
 27 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41 42  1  0
 42 43  1  0
 42 44  2  0
 44  2  1  0
 25  5  1  0
 35 28  1  0
 44 37  1  0
 23 14  1  0
  5 45  1  0
  7 46  1  0
  8 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  0
 11 51  1  0
 12 52  1  0
 14 53  1  0
 16 54  1  0
 17 55  1  0
 17 56  1  0
 18 57  1  0
 19 58  1  0
 20 59  1  0
 21 60  1  0
 22 61  1  0
 23 62  1  0
 24 63  1  0
 25 64  1  0
 26 65  1  0
 29 66  1  0
 30 67  1  0
 32 68  1  0
 34 69  1  0
 35 70  1  0
 38 71  1  0
 40 72  1  0
 41 73  1  0
 43 74  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Quercetin 3-b-laminaribioside	Generator
Quercetin 3-β-laminaribioside	Generator
Quercetin 3-laminaribioside	HMDB

Chemical Formula

C₂₇H₃₀O₁₇

Average Molecular Weight

626.5169

Monoisotopic Molecular Weight

626.148299534

IUPAC Name

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

Traditional Name

3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

CAS Registry Number

171828-58-3

SMILES

OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H30O17/c28-6-14-17(34)20(37)21(38)26(41-14)43-24-18(35)15(7-29)42-27(22(24)39)44-25-19(36)16-12(33)4-9(30)5-13(16)40-23(25)8-1-2-10(31)11(32)3-8/h1-5,14-15,17-18,20-22,24,26-35,37-39H,6-7H2

InChI Key

RAMYMBNTEMMDSX-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
Catechol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Pyranone
Oxane
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Secondary alcohol
Organoheterocyclic compound
Oxacycle
Acetal
Polyol
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic oxygen compound
Primary alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0041358)
Cytoplasm (HMDB: HMDB0041358)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0041358)

Source

Exogenous

Exogenous (HMDB: HMDB0041358)

Food

Food (HMDB: HMDB0041358)

Vegetable

Root vegetable

Root vegetables (FooDB: FOOD00873)

Leaf vegetable

Green vegetables (FooDB: FOOD00872)

Endogenous

Plant

Plant (HMDB: HMDB0041358)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0041358)

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	7.05 g/L	ALOGPS
logP	-0.51	ALOGPS
logP	-1.9	ChemAxon
logS	-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	7	ChemAxon
Refractivity	141.69 m³·mol⁻¹	ChemAxon
Polarizability	59.07 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]+	235.793	30932474
DeepCCS	[M-H]-	233.87	30932474
DeepCCS	[M-2H]-	267.111	30932474
DeepCCS	[M+Na]+	241.562	30932474
AllCCS	[M+H]+	233.0	32859911
AllCCS	[M+H-H2O]+	231.9	32859911
AllCCS	[M+NH4]+	234.0	32859911
AllCCS	[M+Na]+	234.3	32859911
AllCCS	[M-H]-	229.6	32859911
AllCCS	[M+Na-2H]-	231.8	32859911
AllCCS	[M+HCOO]-	234.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Quercetin 3-beta-laminaribioside	OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O	5797.9	Standard polar	33892256
Quercetin 3-beta-laminaribioside	OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O	5362.3	Standard non polar	33892256
Quercetin 3-beta-laminaribioside	OCC1OC(OC2C(O)C(CO)OC(OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)C2O)C(O)C(O)C1O	5810.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Quercetin 3-beta-laminaribioside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5715.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #10	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C1O	5752.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #11	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C1O	5752.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #2	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5744.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5711.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #4	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5795.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #5	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5776.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #6	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5786.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #7	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5794.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #8	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O	5766.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TMS,isomer #9	C[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)OC(CO)C(O)C1O	5742.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	5624.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C	5622.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5646.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5653.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5637.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5673.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5656.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #16	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	5678.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #17	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C1O	5640.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #18	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C1O	5635.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #19	C[Si](C)(C)OC1C(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)OC(CO)C(O)C1O	5642.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5614.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5630.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5612.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5646.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5631.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	5652.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5614.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5615.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5620.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #28	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5637.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #29	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5666.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5625.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #30	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5652.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #31	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5658.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #32	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5692.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #33	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5669.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #34	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5646.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #35	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5647.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #36	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5624.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5646.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5625.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #39	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5635.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5604.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5673.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #41	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5617.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #42	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5586.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #43	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5613.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #44	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5655.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #45	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5634.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5637.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #47	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5613.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5633.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5672.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5641.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #50	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C1O	5657.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #51	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C1O	5653.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #52	C[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	5661.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C1O	5631.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #54	C[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)OC(CO)C(O)C1O[Si](C)(C)C	5648.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #55	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C1O[Si](C)(C)C	5647.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5626.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5644.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5620.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O	5618.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2C(O[Si](C)(C)C)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5517.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5444.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #100	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	5521.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #101	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5480.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #102	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5443.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #103	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5467.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #104	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5534.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #105	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5522.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #106	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5534.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #107	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C1O	5490.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #108	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C1O	5482.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #109	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5492.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5418.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #110	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5489.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #111	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5445.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #112	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5476.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #113	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5527.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #114	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5454.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #115	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5421.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #116	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5517.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #117	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5506.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #118	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5561.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #119	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5488.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5494.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #120	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5463.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #121	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5519.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #122	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5529.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #123	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5449.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #124	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5418.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #125	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5547.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #126	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5480.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #127	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5452.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #128	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5528.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #129	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5504.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5465.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #130	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C1	5496.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #131	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5454.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #132	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5402.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #133	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5435.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #134	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5490.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #135	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5455.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #136	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5423.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #137	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5367.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #138	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5402.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #139	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5463.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5529.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #140	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5468.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #141	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5465.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #142	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5523.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #143	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5469.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #144	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5486.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #145	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5503.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #146	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5421.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #147	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5417.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #148	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5478.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #149	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5471.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5492.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #150	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5426.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #151	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5437.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #152	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5424.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #153	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5468.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #154	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5459.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #155	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5515.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #156	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5449.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #157	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5445.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #158	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5499.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #159	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5455.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C1O	5478.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #160	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5464.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #161	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5494.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #162	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5506.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #163	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5523.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #164	C[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5523.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #165	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5517.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C1O	5493.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5442.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5459.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	5466.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5422.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5480.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5440.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O	5414.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C	5444.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5434.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5395.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5455.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5414.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O	5386.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	5441.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C	5419.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5459.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5526.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5502.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O	5479.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C	5507.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O	5494.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O	5461.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O	5438.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C	5472.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	5516.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5510.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5499.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5512.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5477.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5481.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5481.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5493.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5469.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5534.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5510.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O	5486.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C	5592.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O[Si](C)(C)C	5519.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O[Si](C)(C)C	5505.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	5515.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #54	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C1	5515.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1O	5479.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #56	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5487.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #57	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5450.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #58	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5480.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #59	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5524.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C(O)C1O	5514.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #60	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C	5502.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C1	5491.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)=CC=C1O	5448.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5464.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5422.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #65	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5454.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #66	C[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5499.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #67	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5514.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #68	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O[Si](C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5551.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #69	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O[Si](C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5519.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	5501.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #70	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5536.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #71	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5565.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5517.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5474.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5494.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #75	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	5533.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #76	C[Si](C)(C)OC1C(CO)OC(OC2C(O[Si](C)(C)C)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C(O)C1O	5537.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #77	C[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O[Si](C)(C)C)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)C1O	5523.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #78	C[Si](C)(C)OC1C(OC2C(O[Si](C)(C)C)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C)OC(CO)C(O)C1O	5538.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #79	C[Si](C)(C)OC1C(CO)OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5498.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	5488.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #80	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5511.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #81	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5510.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #82	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5457.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #83	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5470.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #84	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5439.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #85	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	5505.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #86	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5450.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #87	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5415.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #88	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5448.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #89	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5444.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	5502.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #90	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5410.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #91	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	5481.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #92	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5424.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #93	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5389.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #94	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5419.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #95	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5470.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #96	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	5545.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #97	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C1O	5512.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #98	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C1O	5481.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,3TMS,isomer #99	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C1O	5505.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5918.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C1O	5977.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C1O	5981.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C1OC1OC(CO)C(O)C(O)C1O	5972.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5918.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5969.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5950.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5960.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5975.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O	5991.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)OC(CO)C(O)C1O	5967.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5985.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5965.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	6000.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	6012.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5983.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	6027.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	6002.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C1OC1OC(CO)C(O)C(O)C1O	6037.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	6007.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C(C)(C)C)C1O	5984.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	5989.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO[Si](C)(C)C(C)(C)C)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5973.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5990.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5960.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	6004.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O	5976.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)C1O	6016.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C1O	5978.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	5956.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5960.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5991.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	6014.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5976.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5982.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C(O)=C3)OC2=C1	5986.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C(O)=C3)OC2=C1	6042.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C1	6023.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C1	5992.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1O	5996.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)=CC=C1O	5963.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5993.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5960.0	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C(O)=C1)O2	5964.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5943.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C(O)=C1)O2	6018.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5961.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5924.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5930.7	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1=CC(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)=CC=C1O	5998.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O[Si](C)(C)C(C)(C)C	5983.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5992.6	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5959.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	5962.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1O	6026.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C4C3=O)C2O)C(O)C(O)C1O	5995.1	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	6020.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C(C)(C)C)C1O	5997.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	6005.3	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5972.4	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1C(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5978.9	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5981.8	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C4C3=O)C2O)C(O)C(O)C1O	5967.2	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5999.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5958.5	Semi standard non polar	33892256
Quercetin 3-beta-laminaribioside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2C(O)C(CO)OC(OC3=C(C4=CC=C(O)C(O)=C4)OC4=CC(O)=CC(O)=C4C3=O)C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5961.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (Non-derivatized) - 70eV, Positive	splash10-052b-4682294000-c7c0f4c864ce56b37590	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (1 TMS) - 70eV, Positive	splash10-0089-8219108000-3c3523878d506ce5a6c9	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_1_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Quercetin 3-beta-laminaribioside GC-MS (TMS_2_13) - 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 - Quercetin 3-beta-laminaribioside 10V, Positive-QTOF	splash10-0zfr-0229707000-b38405b44f86ab5f5edd	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Positive-QTOF	splash10-0udi-0239400000-ed90174d526408e060ac	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Positive-QTOF	splash10-0udi-0948200000-56ded2903ad3a910cc25	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 10V, Positive-QTOF	splash10-0zfr-0229707000-b38405b44f86ab5f5edd	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Positive-QTOF	splash10-0udi-0239400000-ed90174d526408e060ac	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Positive-QTOF	splash10-0udi-0948200000-56ded2903ad3a910cc25	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 10V, Negative-QTOF	splash10-0fb9-0437519000-c3e85edcb6c9e95ac39f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Negative-QTOF	splash10-0udi-1429311000-cc0b752f9c5d514094fb	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Negative-QTOF	splash10-0ufr-2936000000-f2d597e44a76081a8972	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 10V, Negative-QTOF	splash10-0fb9-0437519000-c3e85edcb6c9e95ac39f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Negative-QTOF	splash10-0udi-1429311000-cc0b752f9c5d514094fb	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Negative-QTOF	splash10-0ufr-2936000000-f2d597e44a76081a8972	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 10V, Negative-QTOF	splash10-004i-0000009000-24c857ec6a6db06d77fb	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Negative-QTOF	splash10-0fb9-0005009000-497846524e441d2421e8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Negative-QTOF	splash10-0udi-0019001000-97038254a33d54dc8776	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 10V, Positive-QTOF	splash10-0udi-0009002000-a1d4d251ab4456651473	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 20V, Positive-QTOF	splash10-0ui0-0009009000-df5b09cd194af1248d8c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Quercetin 3-beta-laminaribioside 40V, Positive-QTOF	splash10-0udi-0009000000-58b2754f892c40f07699	2021-09-24	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

Not Available

FooDB ID

FDB021281

KNApSAcK ID

C00005410

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

74978161

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 Quercetin 3-beta-laminaribioside (HMDB0041358)

MOL for HMDB0041358 (Quercetin 3-beta-laminaribioside)

3D MOL for HMDB0041358 (Quercetin 3-beta-laminaribioside)

3D SDF for HMDB0041358 (Quercetin 3-beta-laminaribioside)

3D-SDF for HMDB0041358 (Quercetin 3-beta-laminaribioside)

PDB for HMDB0041358 (Quercetin 3-beta-laminaribioside)

3D PDB for HMDB0041358 (Quercetin 3-beta-laminaribioside)

SMILES for HMDB0041358 (Quercetin 3-beta-laminaribioside)

INCHI for HMDB0041358 (Quercetin 3-beta-laminaribioside)

Structure for HMDB0041358 (Quercetin 3-beta-laminaribioside)

3D Structure for HMDB0041358 (Quercetin 3-beta-laminaribioside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra