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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:48:14 UTC

Update Date

2022-03-07 02:56:11 UTC

HMDB ID

HMDB0039373

Secondary Accession Numbers

HMDB39373

Metabolite Identification

Common Name

6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin

Description

6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 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. 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin has been detected, but not quantified in, fruits and rubus (blackberry, raspberry). This could make 6''-(4-carboxy-3-hydroxy-3-methylbutanoyl)hyperin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin.

Structure

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

  Mrv0541 05061311042D          

 43 46  0  0  0  0            999 V2000
   -1.0164   -4.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
 10  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
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 13 12  2  0  0  0  0
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 41 24  1  0  0  0  0
 42 16  1  0  0  0  0
 42 26  1  0  0  0  0
 43 25  1  0  0  0  0
 43 26  1  0  0  0  0
M  END

HMDB0039373
     RDKit          3D
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin
 71 74  0  0  0  0  0  0  0  0999 V2000
    7.9798    0.5664   -0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829    0.2868    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0810    0.6463    1.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4878   -1.1981   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685   -2.0033    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6942   -2.0983   -0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914   -2.6995    1.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546    1.1241   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    0.9705    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.2302    1.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819    1.6539   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    1.6546    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9967    1.6701   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
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 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END

  Mrv0541 05061311042D          

 43 46  0  0  0  0            999 V2000
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    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0  0  0  0
 10  2  1  0  0  0  0
 10  4  2  0  0  0  0
 11  5  2  0  0  0  0
 11  6  1  0  0  0  0
 12  3  1  0  0  0  0
 13  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14  5  1  0  0  0  0
 15  6  2  0  0  0  0
 16  9  1  0  0  0  0
 17  7  1  0  0  0  0
 18  8  1  0  0  0  0
 19 14  2  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 10  1  0  0  0  0
 25 21  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27  1  1  0  0  0  0
 27  7  1  0  0  0  0
 27  8  1  0  0  0  0
 28 11  1  0  0  0  0
 29 12  1  0  0  0  0
 30 13  1  0  0  0  0
 31 14  1  0  0  0  0
 32 17  2  0  0  0  0
 33 17  1  0  0  0  0
 34 18  2  0  0  0  0
 35 20  1  0  0  0  0
 36 21  2  0  0  0  0
 37 22  1  0  0  0  0
 38 23  1  0  0  0  0
 39 27  1  0  0  0  0
 40  9  1  0  0  0  0
 40 18  1  0  0  0  0
 41 15  1  0  0  0  0
 41 24  1  0  0  0  0
 42 16  1  0  0  0  0
 42 26  1  0  0  0  0
 43 25  1  0  0  0  0
 43 26  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039373

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)

> <INCHI_KEY>
FMMBDZGNMFRGMV-UHFFFAOYSA-N

> <FORMULA>
C27H28O16

> <MOLECULAR_WEIGHT>
608.5016

> <EXACT_MASS>
608.137734848

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
56.831263550591345

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

> <ALOGPS_LOGP>
0.88

> <JCHEM_LOGP>
-0.22860541233333406

> <ALOGPS_LOGS>
-2.85

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.434857761749502

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7522583894108625

> <JCHEM_PKA_STRONGEST_BASIC>
-3.649102966195386

> <JCHEM_POLAR_SURFACE_AREA>
270.2

> <JCHEM_REFRACTIVITY>
139.921

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.61e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039373
     RDKit          3D
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin
 71 74  0  0  0  0  0  0  0  0999 V2000
    7.9798    0.5664   -0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829    0.2868    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0810    0.6463    1.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4878   -1.1981   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685   -2.0033    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6942   -2.0983   -0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914   -2.6995    1.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546    1.1241   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    0.9705    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.2302    1.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819    1.6539   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    1.6546    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    0.2482    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547    0.4093    1.1555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278   -0.0823    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -0.0403    1.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356    0.6200    0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2756   -0.0124    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960   -1.4431    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4063   -1.9436   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6580   -3.2813   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -4.2072   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2006   -5.5456   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9267   -3.7633    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556   -4.6584    1.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6903   -2.4082    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    0.7750   -0.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2465    2.0742   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3077    2.8313   -0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3183    4.2092   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3892    4.9437   -1.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2657    4.8912   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052    4.1592    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192    4.7998    1.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1976    2.7621    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1524    2.0196    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715    2.5946    1.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -1.3739   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437   -2.4064    0.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -1.0571   -1.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2920   -0.1654   -2.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -0.3299   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -1.2729   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    0.0000   -1.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967    1.6701   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8756    0.2235   -0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401   -0.1068    2.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693   -1.3563   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6342   -1.5275    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5408   -3.1001    1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722    0.9031   -1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0046    2.1835   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823    2.3613   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    2.0714    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166   -0.3238    1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864    0.6578   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0048   -1.2367   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4576   -3.6000   -1.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230   -5.8928   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2917   -5.6557    1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191   -2.1114    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1392    2.3005   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1474    5.1357   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2991    5.9796    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159    5.8072    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -1.6294   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -2.3120    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6514   -1.9917   -1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    0.6565   -2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    0.4285   -1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512   -2.0142   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 18 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
 15 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 13  1  0
 36 17  1  0
 26 19  1  0
 35 28  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  7 50  1  0
  8 51  1  0
  8 52  1  0
 12 53  1  0
 12 54  1  0
 13 55  1  0
 15 56  1  0
 20 57  1  0
 21 58  1  0
 23 59  1  0
 25 60  1  0
 26 61  1  0
 29 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  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      -1.897  -9.034   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.001  -8.470   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.668  -8.470   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.335  -6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       0.000  -9.240   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       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -3.437  -6.366   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667   0.000   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       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1   27                                                            
CONECT    2    3   10                                                       
CONECT    3    2   12                                                       
CONECT    4   10   13                                                       
CONECT    5   11   14                                                       
CONECT    6   11   15                                                       
CONECT    7   17   27                                                       
CONECT    8   18   27                                                       
CONECT    9   16   40                                                       
CONECT   10    2    4   24                                                  
CONECT   11    5    6   28                                                  
CONECT   12    3   13   29                                                  
CONECT   13    4   12   30                                                  
CONECT   14    5   19   31                                                  
CONECT   15    6   19   41                                                  
CONECT   16    9   20   42                                                  
CONECT   17    7   32   33                                                  
CONECT   18    8   34   40                                                  
CONECT   19   14   15   21                                                  
CONECT   20   16   22   35                                                  
CONECT   21   19   25   36                                                  
CONECT   22   20   23   37                                                  
CONECT   23   22   26   38                                                  
CONECT   24   10   25   41                                                  
CONECT   25   21   24   43                                                  
CONECT   26   23   42   43                                                  
CONECT   27    1    7    8   39                                             
CONECT   28   11                                                            
CONECT   29   12                                                            
CONECT   30   13                                                            
CONECT   31   14                                                            
CONECT   32   17                                                            
CONECT   33   17                                                            
CONECT   34   18                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   27                                                            
CONECT   40    9   18                                                       
CONECT   41   15   24                                                       
CONECT   42   16   26                                                       
CONECT   43   25   26                                                       
MASTER        0    0    0    0    0    0    0    0   43    0   92    0
END

COMPND    HMDB0039373
HETATM    1  C1  UNL     1       7.980   0.566  -0.819  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.783   0.287   0.101  1.00  0.00           C  
HETATM    3  O1  UNL     1       7.081   0.646   1.393  1.00  0.00           O  
HETATM    4  C3  UNL     1       6.488  -1.198  -0.052  1.00  0.00           C  
HETATM    5  C4  UNL     1       7.669  -2.003   0.344  1.00  0.00           C  
HETATM    6  O2  UNL     1       8.694  -2.098  -0.384  1.00  0.00           O  
HETATM    7  O3  UNL     1       7.691  -2.699   1.557  1.00  0.00           O  
HETATM    8  C5  UNL     1       5.655   1.124  -0.422  1.00  0.00           C  
HETATM    9  C6  UNL     1       4.399   0.971   0.368  1.00  0.00           C  
HETATM   10  O4  UNL     1       4.320   0.230   1.388  1.00  0.00           O  
HETATM   11  O5  UNL     1       3.282   1.654  -0.018  1.00  0.00           O  
HETATM   12  C7  UNL     1       2.021   1.655   0.567  1.00  0.00           C  
HETATM   13  C8  UNL     1       1.381   0.248   0.610  1.00  0.00           C  
HETATM   14  O6  UNL     1       0.155   0.409   1.156  1.00  0.00           O  
HETATM   15  C9  UNL     1      -0.928  -0.082   0.439  1.00  0.00           C  
HETATM   16  O7  UNL     1      -2.115  -0.040   1.240  1.00  0.00           O  
HETATM   17  C10 UNL     1      -3.236   0.620   0.750  1.00  0.00           C  
HETATM   18  C11 UNL     1      -4.276  -0.012   0.197  1.00  0.00           C  
HETATM   19  C12 UNL     1      -4.396  -1.443   0.063  1.00  0.00           C  
HETATM   20  C13 UNL     1      -5.406  -1.944  -0.783  1.00  0.00           C  
HETATM   21  C14 UNL     1      -5.658  -3.281  -0.933  1.00  0.00           C  
HETATM   22  C15 UNL     1      -4.919  -4.207  -0.249  1.00  0.00           C  
HETATM   23  O8  UNL     1      -5.201  -5.546  -0.425  1.00  0.00           O  
HETATM   24  C16 UNL     1      -3.927  -3.763   0.584  1.00  0.00           C  
HETATM   25  O9  UNL     1      -3.156  -4.658   1.294  1.00  0.00           O  
HETATM   26  C17 UNL     1      -3.690  -2.408   0.720  1.00  0.00           C  
HETATM   27  O10 UNL     1      -5.273   0.775  -0.254  1.00  0.00           O  
HETATM   28  C18 UNL     1      -5.247   2.074  -0.163  1.00  0.00           C  
HETATM   29  C19 UNL     1      -6.308   2.831  -0.649  1.00  0.00           C  
HETATM   30  C20 UNL     1      -6.318   4.209  -0.573  1.00  0.00           C  
HETATM   31  O11 UNL     1      -7.389   4.944  -1.065  1.00  0.00           O  
HETATM   32  C21 UNL     1      -5.266   4.891  -0.006  1.00  0.00           C  
HETATM   33  C22 UNL     1      -4.205   4.159   0.481  1.00  0.00           C  
HETATM   34  O12 UNL     1      -3.119   4.800   1.061  1.00  0.00           O  
HETATM   35  C23 UNL     1      -4.198   2.762   0.402  1.00  0.00           C  
HETATM   36  C24 UNL     1      -3.152   2.020   0.878  1.00  0.00           C  
HETATM   37  O13 UNL     1      -2.171   2.595   1.402  1.00  0.00           O  
HETATM   38  C25 UNL     1      -0.641  -1.374  -0.240  1.00  0.00           C  
HETATM   39  O14 UNL     1      -0.244  -2.406   0.580  1.00  0.00           O  
HETATM   40  C26 UNL     1       0.379  -1.057  -1.329  1.00  0.00           C  
HETATM   41  O15 UNL     1      -0.292  -0.165  -2.199  1.00  0.00           O  
HETATM   42  C27 UNL     1       1.519  -0.330  -0.736  1.00  0.00           C  
HETATM   43  O16 UNL     1       2.588  -1.273  -0.677  1.00  0.00           O  
HETATM   44  H1  UNL     1       7.792   0.000  -1.756  1.00  0.00           H  
HETATM   45  H2  UNL     1       7.997   1.670  -1.034  1.00  0.00           H  
HETATM   46  H3  UNL     1       8.876   0.224  -0.281  1.00  0.00           H  
HETATM   47  H4  UNL     1       6.940  -0.107   2.018  1.00  0.00           H  
HETATM   48  H5  UNL     1       6.269  -1.356  -1.135  1.00  0.00           H  
HETATM   49  H6  UNL     1       5.634  -1.528   0.571  1.00  0.00           H  
HETATM   50  H7  UNL     1       8.541  -3.100   1.925  1.00  0.00           H  
HETATM   51  H8  UNL     1       5.472   0.903  -1.505  1.00  0.00           H  
HETATM   52  H9  UNL     1       6.005   2.184  -0.392  1.00  0.00           H  
HETATM   53  H10 UNL     1       1.382   2.361  -0.002  1.00  0.00           H  
HETATM   54  H11 UNL     1       2.035   2.071   1.618  1.00  0.00           H  
HETATM   55  H12 UNL     1       2.017  -0.324   1.360  1.00  0.00           H  
HETATM   56  H13 UNL     1      -1.086   0.658  -0.410  1.00  0.00           H  
HETATM   57  H14 UNL     1      -6.005  -1.237  -1.336  1.00  0.00           H  
HETATM   58  H15 UNL     1      -6.458  -3.600  -1.606  1.00  0.00           H  
HETATM   59  H16 UNL     1      -5.923  -5.893  -1.031  1.00  0.00           H  
HETATM   60  H17 UNL     1      -3.292  -5.656   1.228  1.00  0.00           H  
HETATM   61  H18 UNL     1      -2.919  -2.111   1.381  1.00  0.00           H  
HETATM   62  H19 UNL     1      -7.139   2.300  -1.097  1.00  0.00           H  
HETATM   63  H20 UNL     1      -8.147   5.136  -0.413  1.00  0.00           H  
HETATM   64  H21 UNL     1      -5.299   5.980   0.042  1.00  0.00           H  
HETATM   65  H22 UNL     1      -3.116   5.807   1.121  1.00  0.00           H  
HETATM   66  H23 UNL     1      -1.573  -1.629  -0.837  1.00  0.00           H  
HETATM   67  H24 UNL     1      -0.479  -2.312   1.515  1.00  0.00           H  
HETATM   68  H25 UNL     1       0.651  -1.992  -1.861  1.00  0.00           H  
HETATM   69  H26 UNL     1       0.228   0.657  -2.338  1.00  0.00           H  
HETATM   70  H27 UNL     1       1.892   0.429  -1.487  1.00  0.00           H  
HETATM   71  H28 UNL     1       2.351  -2.014  -0.070  1.00  0.00           H  
CONECT    1    2   44   45   46
CONECT    2    3    4    8
CONECT    3   47
CONECT    4    5   48   49
CONECT    5    6    6    7
CONECT    7   50
CONECT    8    9   51   52
CONECT    9   10   10   11
CONECT   11   12
CONECT   12   13   53   54
CONECT   13   14   42   55
CONECT   14   15
CONECT   15   16   38   56
CONECT   16   17
CONECT   17   18   18   36
CONECT   18   19   27
CONECT   19   20   20   26
CONECT   20   21   57
CONECT   21   22   22   58
CONECT   22   23   24
CONECT   23   59
CONECT   24   25   26   26
CONECT   25   60
CONECT   26   61
CONECT   27   28
CONECT   28   29   29   35
CONECT   29   30   62
CONECT   30   31   32   32
CONECT   31   63
CONECT   32   33   64
CONECT   33   34   35   35
CONECT   34   65
CONECT   35   36
CONECT   36   37   37
CONECT   38   39   40   66
CONECT   39   67
CONECT   40   41   42   68
CONECT   41   69
CONECT   42   43   70
CONECT   43   71
END

HMDB0039373
     RDKit          3D
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin
 71 74  0  0  0  0  0  0  0  0999 V2000
    7.9798    0.5664   -0.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7829    0.2868    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0810    0.6463    1.3927 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4878   -1.1981   -0.0519 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6685   -2.0033    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6942   -2.0983   -0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914   -2.6995    1.5574 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6546    1.1241   -0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    0.9705    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3200    0.2302    1.3876 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2819    1.6539   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0208    1.6546    0.5672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3807    0.2482    0.6103 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547    0.4093    1.1555 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9278   -0.0823    0.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1150   -0.0403    1.2400 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356    0.6200    0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2756   -0.0124    0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3960   -1.4431    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4063   -1.9436   -0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6580   -3.2813   -0.9330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -4.2072   -0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2006   -5.5456   -0.4252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9267   -3.7633    0.5839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1556   -4.6584    1.2936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6903   -2.4082    0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2728    0.7750   -0.2542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2465    2.0742   -0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3077    2.8313   -0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3183    4.2092   -0.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3892    4.9437   -1.0652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2657    4.8912   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052    4.1592    0.4811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1192    4.7998    1.0615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1976    2.7621    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1524    2.0196    0.8775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715    2.5946    1.4020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6411   -1.3739   -0.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2437   -2.4064    0.5798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3788   -1.0571   -1.3294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2920   -0.1654   -2.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5189   -0.3299   -0.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5882   -1.2729   -0.6769 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7921    0.0000   -1.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967    1.6701   -1.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8756    0.2235   -0.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401   -0.1068    2.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2693   -1.3563   -1.1347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6342   -1.5275    0.5715 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5408   -3.1001    1.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4722    0.9031   -1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0046    2.1835   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3823    2.3613   -0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353    2.0714    1.6176 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0166   -0.3238    1.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0864    0.6578   -0.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0048   -1.2367   -1.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4576   -3.6000   -1.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9230   -5.8928   -1.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2917   -5.6557    1.2276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9191   -2.1114    1.3809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1392    2.3005   -1.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1474    5.1357   -0.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2991    5.9796    0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1159    5.8072    1.1214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5734   -1.6294   -0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -2.3120    1.5149 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6514   -1.9917   -1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281    0.6565   -2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8921    0.4285   -1.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3512   -2.0142   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  2  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 18 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 36  1  0
 36 37  2  0
 15 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  1  0
 42 13  1  0
 36 17  1  0
 26 19  1  0
 35 28  1  0
  1 44  1  0
  1 45  1  0
  1 46  1  0
  3 47  1  0
  4 48  1  0
  4 49  1  0
  7 50  1  0
  8 51  1  0
  8 52  1  0
 12 53  1  0
 12 54  1  0
 13 55  1  0
 15 56  1  0
 20 57  1  0
 21 58  1  0
 23 59  1  0
 25 60  1  0
 26 61  1  0
 29 62  1  0
 31 63  1  0
 32 64  1  0
 34 65  1  0
 38 66  1  0
 39 67  1  0
 40 68  1  0
 41 69  1  0
 42 70  1  0
 43 71  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside]	HMDB
5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoate	Generator

Chemical Formula

C₂₇H₂₈O₁₆

Average Molecular Weight

608.5016

Monoisotopic Molecular Weight

608.137734848

IUPAC Name

5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

Traditional Name

5-[(6-{[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

CAS Registry Number

106915-93-9

SMILES

CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)

InChI Key

FMMBDZGNMFRGMV-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
Saccharolipid
Flavone
Hydroxyflavonoid
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
7-hydroxyflavonoid
Glycosyl compound
O-glycosyl compound
Chromone
Benzopyran
1-benzopyran
Catechol
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
1-hydroxy-4-unsubstituted benzenoid
Phenol
Pyranone
Dicarboxylic acid or derivatives
Oxane
Monocyclic benzene moiety
Monosaccharide
Benzenoid
Fatty acyl
Pyran
Vinylogous acid
Heteroaromatic compound
Tertiary alcohol
Secondary alcohol
Carboxylic acid ester
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Acetal
Oxacycle
Polyol
Organic oxide
Carbonyl group
Organic oxygen compound
Alcohol
Hydrocarbon derivative
Organooxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039373)
Cytoplasm (HMDB: HMDB0039373)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039373)

Source

Exogenous

Exogenous (HMDB: HMDB0039373)

Food

Food (HMDB: HMDB0039373)

Fruit

Berry

Rubus (Blackberry, Raspberry) (FooDB: FOOD00160)

Fruits (FooDB: FOOD00871)

Endogenous

Plant

Plant (HMDB: HMDB0039373)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0039373)

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	0.86 g/L	ALOGPS
logP	0.88	ALOGPS
logP	-0.23	ChemAxon
logS	-2.8	ALOGPS
pKa (Strongest Acidic)	3.75	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	270.2 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	139.92 m³·mol⁻¹	ChemAxon
Polarizability	56.83 Å³	ChemAxon
Number of Rings	4	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]+	221.628	30932474
DeepCCS	[M-H]-	219.627	30932474
DeepCCS	[M-2H]-	252.866	30932474
DeepCCS	[M+Na]+	227.487	30932474
AllCCS	[M+H]+	229.6	32859911
AllCCS	[M+H-H2O]+	228.4	32859911
AllCCS	[M+NH4]+	230.6	32859911
AllCCS	[M+Na]+	230.9	32859911
AllCCS	[M-H]-	229.4	32859911
AllCCS	[M+Na-2H]-	231.5	32859911
AllCCS	[M+HCOO]-	234.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	6961.3	Standard polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	4615.7	Standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin	CC(O)(CC(O)=O)CC(=O)OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC(O)=C(O)C=C2)C(O)C(O)C1O	5480.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #1	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	5357.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #2	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	5192.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #3	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5339.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #4	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5290.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #5	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5292.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #6	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5309.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #7	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5303.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #8	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5294.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TMS,isomer #9	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5301.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #1	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5143.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #10	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	5014.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #11	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	5083.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #12	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	5050.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #13	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	5079.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #14	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	5047.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #15	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	5064.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #16	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5176.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #17	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5157.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #18	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5161.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #19	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5207.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #2	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	5192.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #20	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5179.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #21	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5197.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #22	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5142.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #23	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5119.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #24	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5174.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #25	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5146.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #26	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5165.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #27	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5148.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #28	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5146.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #29	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5115.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #3	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	5172.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #30	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5135.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #31	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5165.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #32	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5135.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #33	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5153.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #34	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5216.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #35	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5229.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #36	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5210.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #4	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	5241.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #5	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	5205.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #6	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	5240.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #7	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5215.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #8	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5229.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TMS,isomer #9	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	5039.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #1	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4966.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #10	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5019.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #11	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5078.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #12	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5025.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #13	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5053.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #14	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5037.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #15	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	4998.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #16	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5061.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #17	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5003.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #18	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5032.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #19	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5087.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #2	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4946.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #20	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5148.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #21	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5109.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #22	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5124.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #23	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5112.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #24	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5071.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #25	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5089.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #26	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5152.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #27	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5165.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #28	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	5137.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #29	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4918.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #3	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5052.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #30	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4929.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #31	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4890.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #32	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4940.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #33	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4889.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #34	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4913.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #35	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4909.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #36	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4868.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #37	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4919.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #38	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4871.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #39	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4894.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #4	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5010.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #40	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4937.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #41	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	5007.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #42	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4958.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #43	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4982.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #44	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C	4962.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #45	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4919.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #46	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4937.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #47	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	5000.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #48	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	5023.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #49	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4985.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #5	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5068.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #50	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5050.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #51	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4999.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #52	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5066.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #53	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5005.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #54	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5037.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #55	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4975.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #56	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5046.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #57	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	4985.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #58	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5014.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #59	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5065.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #6	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5025.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #60	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5024.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #61	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5040.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #62	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5112.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #63	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5125.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #64	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5095.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #65	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5010.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #66	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5029.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #67	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	4968.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #68	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5001.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #69	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5008.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #7	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5044.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #70	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	4947.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #71	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	4978.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #72	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5078.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #73	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5095.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #74	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5061.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #75	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O	5051.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #76	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5013.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #77	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5023.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #78	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5044.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #79	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5056.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #8	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5066.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #80	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5033.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #81	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O	5059.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #82	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C	5073.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #83	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5044.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #84	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5176.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,3TMS,isomer #9	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C	5058.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #1	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4879.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #10	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4809.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #100	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4978.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #101	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4944.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #102	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4899.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #103	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4838.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #104	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4871.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #105	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4940.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #106	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4964.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #107	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4929.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #108	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4988.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #109	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5007.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #11	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4847.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #110	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4972.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #111	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	5079.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #112	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4938.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #113	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4872.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #114	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4909.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #115	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4922.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #116	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4948.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #117	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4910.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #118	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4902.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #119	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4932.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #12	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4892.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #120	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4892.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #121	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	5044.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #122	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4984.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #123	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5002.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #124	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	4975.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #125	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	5008.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #126	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C)C1O[Si](C)(C)C	5020.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #13	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4992.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #14	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4922.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #15	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4963.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #16	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4949.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #17	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4879.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #18	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4923.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #19	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5001.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #2	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4847.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #20	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	5022.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #21	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4991.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #22	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	4965.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #23	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	4923.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #24	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	5004.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #25	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4932.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #26	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4978.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #27	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	4881.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #28	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	4969.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #29	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4892.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #3	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4809.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #30	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4937.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #31	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	4935.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #32	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4856.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #33	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4906.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #34	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4977.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #35	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4999.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #36	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	4967.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #37	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C	4865.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #38	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	4951.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #39	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4875.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #4	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4889.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #40	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4920.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #41	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	4916.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #42	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4838.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #43	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4889.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #44	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4963.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #45	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4986.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #46	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	4954.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #47	CC(CC(=O)O)(CC(=O)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[Si](C)(C)C)C(O)C1O)O[Si](C)(C)C	5011.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #48	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	4938.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #49	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	4984.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #5	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4824.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #50	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5072.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #51	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5083.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #52	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	5059.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #53	CC(CC(=O)O)(CC(=O)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(O[Si](C)(C)C)C1O)O[Si](C)(C)C	5031.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #54	CC(CC(=O)O)(CC(=O)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(O)C1O[Si](C)(C)C)O[Si](C)(C)C	5049.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #55	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	5023.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #56	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)O[Si](C)(C)C	5117.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #57	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	4836.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #58	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	4791.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #59	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4860.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #6	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4865.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #60	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4814.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #61	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4842.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #62	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	4782.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #63	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4848.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #64	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4803.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #65	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4829.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #66	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4806.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #67	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4770.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #68	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4789.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #69	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4854.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #7	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4825.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #70	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4877.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #71	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4847.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #72	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C	4766.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #73	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4829.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #74	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4787.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #75	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4810.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #76	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4786.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #77	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4752.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #78	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4770.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #79	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4842.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #8	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4788.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #80	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4865.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #81	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4834.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #82	CC(O)(CC(=O)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[Si](C)(C)C)C(O)C1O)CC(=O)O[Si](C)(C)C	4863.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #83	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4799.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #84	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4839.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #85	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4926.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #86	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4949.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #87	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4907.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #88	CC(O)(CC(=O)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(O[Si](C)(C)C)C1O)CC(=O)O[Si](C)(C)C	4888.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #89	CC(O)(CC(=O)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(O)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4913.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #9	CC(CC(=O)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(O)C1O)(CC(=O)O[Si](C)(C)C)O[Si](C)(C)C	4871.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #90	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4873.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #91	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)CC(=O)O[Si](C)(C)C	4984.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #92	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	4904.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #93	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4980.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #94	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4915.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #95	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4947.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #96	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	4923.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #97	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	4859.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #98	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	4894.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,4TMS,isomer #99	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4956.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #1	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)O[Si](C)(C)C(C)(C)C	5576.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #2	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5459.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #3	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5517.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #4	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5492.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #5	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5491.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #6	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5517.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #7	CC(O)(CC(=O)O)CC(=O)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(O)C1O	5532.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #8	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5526.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,1TBDMS,isomer #9	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5527.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #1	CC(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O)(CC(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5572.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #10	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5459.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #11	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5512.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #12	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5476.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #13	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5505.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #14	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5477.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #15	CC(O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)CC(=O)O[Si](C)(C)C(C)(C)C	5484.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #16	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5583.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #17	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5551.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #18	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5551.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #19	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C(C)(C)C)C(O)C1O	5591.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #2	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C(C)(C)C	5591.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #20	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C(C)(C)C)C1O	5566.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #21	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C(C)(C)C	5572.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #22	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5553.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #23	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5520.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #24	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C(C)(C)C)C(O)C1O	5557.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #25	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C(C)(C)C)C1O	5533.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #26	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C(C)(C)C	5540.4	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #27	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O	5533.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #28	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C(C)(C)C)C(O)C1O	5529.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #29	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C(C)(C)C)C1O	5510.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #3	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C(C)(C)C	5562.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #30	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C(C)(C)C	5510.1	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #31	CC(O)(CC(=O)O)CC(=O)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[Si](C)(C)C(C)(C)C)C(O)C1O	5558.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #32	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C(C)(C)C)C1O	5537.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #33	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C(C)(C)C	5537.9	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #34	CC(O)(CC(=O)O)CC(=O)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(O[Si](C)(C)C(C)(C)C)C1O	5593.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #35	CC(O)(CC(=O)O)CC(=O)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(O)C1O[Si](C)(C)C(C)(C)C	5602.0	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #36	CC(O)(CC(=O)O)CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5582.2	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #4	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C(C)(C)C	5622.7	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #5	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C(C)(C)C	5590.3	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #6	CC(CC(=O)O)(CC(=O)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(O)C1O)O[Si](C)(C)C(C)(C)C	5623.8	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #7	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O)O[Si](C)(C)C(C)(C)C	5599.5	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #8	CC(CC(=O)O)(CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	5606.6	Semi standard non polar	33892256
6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin,2TBDMS,isomer #9	CC(O)(CC(=O)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(O)C1O)CC(=O)O[Si](C)(C)C(C)(C)C	5487.8	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 - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (Non-derivatized) - 70eV, Positive	splash10-052p-9132370000-71e8da3d88dfd5b81190	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (1 TMS) - 70eV, Positive	splash10-02ii-9114208000-834b3e5e3e0ffb1bcb62	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-16	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-16	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 - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 10V, Negative-QTOF	splash10-0nmm-2914162000-2e6db76e74eeae698950	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 20V, Negative-QTOF	splash10-0udl-2916010000-36dcf28e604601ce917a	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 40V, Negative-QTOF	splash10-0w29-1932000000-ef6c89ef05215696a119	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 10V, Negative-QTOF	splash10-0a4i-0000009000-8f36f69f5b30a11ec88d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 20V, Negative-QTOF	splash10-0a4i-0400019000-8aa79598d6e6471a2d29	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 40V, Negative-QTOF	splash10-0rs3-1910021000-8a1ba3cee71706914edb	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 10V, Positive-QTOF	splash10-0udl-1225191000-9f00a3aedcd679f9989e	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 20V, Positive-QTOF	splash10-0udi-1239030000-a31c004ffe8e62f8d4ee	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 40V, Positive-QTOF	splash10-0udr-1966000000-6bab1228c3e2b06042d6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 10V, Positive-QTOF	splash10-0a4i-0000009000-01da997868138dfae6c6	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 20V, Positive-QTOF	splash10-0a4i-0000009000-0c709ae9f17561e7c943	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin 40V, Positive-QTOF	splash10-0zfr-1900113000-7393f4b1c9f50a4d075f	2021-09-23	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

FDB018936

KNApSAcK ID

C00005948

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

73829993

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 6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin (HMDB0039373)

MOL for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

3D MOL for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

3D SDF for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

3D-SDF for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

PDB for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

3D PDB for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

SMILES for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

INCHI for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

Structure for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

3D Structure for HMDB0039373 (6''-(4-Carboxy-3-hydroxy-3-methylbutanoyl)hyperin)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra