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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 00:48:18 UTC

Update Date

2022-03-07 02:56:11 UTC

HMDB ID

HMDB0039374

Secondary Accession Numbers

HMDB39374

Metabolite Identification

Common Name

6''-Acetylhyperin 7-rhamnoside

Description

6''-Acetylhyperin 7-rhamnoside belongs to the class of organic compounds known as flavonoid-3-o-glycosides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to carbohydrate moiety at the C3-position. 6''-Acetylhyperin 7-rhamnoside is found, on average, in the highest concentration within broad beans (Vicia faba). 6''-Acetylhyperin 7-rhamnoside has also been detected, but not quantified in, pulses. This could make 6''-acetylhyperin 7-rhamnoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 6''-Acetylhyperin 7-rhamnoside.

Structure

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


  Mrv0541 05061311042D          

 46 50  0  0  0  0            999 V2000
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    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
    1.4289   -4.1250    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   -5.3625    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
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -2.8579   -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
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
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 34 19  1  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 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41  8  1  0  0  0  0
 41 10  1  0  0  0  0
 42  9  1  0  0  0  0
 42 28  1  0  0  0  0
 43 12  1  0  0  0  0
 43 28  1  0  0  0  0
 44 16  1  0  0  0  0
 44 26  1  0  0  0  0
 45 17  1  0  0  0  0
 45 29  1  0  0  0  0
 46 27  1  0  0  0  0
 46 29  1  0  0  0  0
M  END

HMDB0039374
     RDKit          3D
6''-Acetylhyperin 7-rhamnoside
 78 82  0  0  0  0  0  0  0  0999 V2000
   -8.7753    0.3839   -3.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5731   -0.3800   -3.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5267   -1.0020   -4.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4384   -0.4235   -3.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2688   -1.1220   -3.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.9210   -2.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0695    0.3872   -2.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7092    0.9187   -0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    0.7464   -0.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.6484   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    1.0817    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578    1.7764    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.6737    3.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    2.3497    4.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    3.1600    4.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    3.8465    5.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8387    3.2391    2.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3510    2.5681    1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4821    0.2621    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.0722    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -0.5586   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9898   -0.6836   -0.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -1.2718   -1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518   -0.3031   -1.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2110   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0394    1.5657   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -0.8105    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3983   -1.0100   -0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534   -2.0645    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8752   -1.9058    2.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5697   -2.4424   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026   -3.1121    0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -1.0164   -1.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464   -0.8554   -1.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -1.2973   -3.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3830   -0.0238   -1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -0.4309   -2.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8589    0.4919   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0021    1.1364    1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8936    2.0421   -1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    1.0326    3.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646    2.2542    5.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3670    4.5566    3.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.3651   -3.5073   -0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
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  5  6  1  0
  6  7  1  0
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  9 10  1  0
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 37 72  1  0
 41 73  1  0
 42 74  1  0
 43 75  1  0
 44 76  1  0
 45 77  1  0
 46 78  1  0
M  END


  Mrv0541 05061311042D          

 46 50  0  0  0  0            999 V2000
   -4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    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
    1.4289   -4.1250    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   -5.3625    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
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    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -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
   -1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  3  2  0  0  0  0
  9  1  1  0  0  0  0
 10  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11  5  2  0  0  0  0
 12  6  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  1  0  0  0  0
 14  5  1  0  0  0  0
 14 13  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 17  8  1  0  0  0  0
 18 15  2  0  0  0  0
 18 16  1  0  0  0  0
 19  9  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 11  1  0  0  0  0
 27 21  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 25  1  0  0  0  0
 30 10  2  0  0  0  0
 31 13  1  0  0  0  0
 32 14  1  0  0  0  0
 33 15  1  0  0  0  0
 34 19  1  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 24  1  0  0  0  0
 40 25  1  0  0  0  0
 41  8  1  0  0  0  0
 41 10  1  0  0  0  0
 42  9  1  0  0  0  0
 42 28  1  0  0  0  0
 43 12  1  0  0  0  0
 43 28  1  0  0  0  0
 44 16  1  0  0  0  0
 44 26  1  0  0  0  0
 45 17  1  0  0  0  0
 45 29  1  0  0  0  0
 46 27  1  0  0  0  0
 46 29  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0039374

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3

> <INCHI_KEY>
QBFLREGYLMFMCL-UHFFFAOYSA-N

> <FORMULA>
C29H32O17

> <MOLECULAR_WEIGHT>
652.5542

> <EXACT_MASS>
652.163949598

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
62.59020031651523

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

> <ALOGPS_LOGP>
0.42

> <JCHEM_LOGP>
-0.924868012333333

> <ALOGPS_LOGS>
-2.55

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.746787827492474

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.107097784517235

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6491028644426606

> <JCHEM_POLAR_SURFACE_AREA>
271.59

> <JCHEM_REFRACTIVITY>
149.0277

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0039374
     RDKit          3D
6''-Acetylhyperin 7-rhamnoside
 78 82  0  0  0  0  0  0  0  0999 V2000
   -8.7753    0.3839   -3.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5731   -0.3800   -3.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5267   -1.0020   -4.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4384   -0.4235   -3.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2688   -1.1220   -3.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.9210   -2.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0695    0.3872   -2.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7092    0.9187   -0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    0.7464   -0.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.6484   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    1.0817    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578    1.7764    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.6737    3.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    2.3497    4.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    3.1600    4.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    3.8465    5.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3510    2.5681    1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356    0.8636    1.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821    0.2621    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.0722    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3658    0.2110   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0394    1.5657   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -0.8105    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3983   -1.0100   -0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534   -2.0645    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8752   -1.9058    2.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5697   -2.4424   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026   -3.1121    0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -1.0164   -1.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464   -0.8554   -1.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -1.2973   -3.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -0.2110   -1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.0238   -1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -0.4309   -2.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8589    0.4919   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0021    1.1364    1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7087   -1.0038    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7345   -1.4073    1.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -1.7350   -1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -2.8884   -0.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4996   -0.3589   -3.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1853    0.9821   -4.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5258    1.0719   -2.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7904   -0.6117   -4.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4456   -2.2039   -3.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3430   -1.4161   -2.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936    2.0421   -1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    1.0326    3.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646    2.2542    5.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    3.7341    6.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670    4.5566    3.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    2.7078    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558    0.4547    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365   -1.6667   -1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    0.3442    0.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6943    1.8004    0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5119   -1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197    2.3049   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320   -0.3950    1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8073   -1.9011   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2966   -2.8805    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8067   -0.9485    2.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0187   -3.1949   -0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204   -3.7712    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867   -1.5085   -2.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677   -1.7680   -3.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7950    0.5890   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2521    2.0761    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7573   -1.1533    0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9033   -0.6559    1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7601   -2.0739   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3651   -3.5073   -0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
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  5  6  1  0
  6  7  1  0
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  8 41  1  0
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 33 25  1  0
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  5 50  1  0
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 41 73  1  0
 42 74  1  0
 43 75  1  0
 44 76  1  0
 45 77  1  0
 46 78  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -8.002   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334 -11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -6.668  -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      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       0.000  -9.240   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       9.336  -0.770   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -8.002  -3.080   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      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      -2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2   10                                                            
CONECT    3    4   11                                                       
CONECT    4    3   13                                                       
CONECT    5   11   14                                                       
CONECT    6   12   15                                                       
CONECT    7   12   16                                                       
CONECT    8   17   41                                                       
CONECT    9    1   19   42                                                  
CONECT   10    2   30   41                                                  
CONECT   11    3    5   26                                                  
CONECT   12    6    7   43                                                  
CONECT   13    4   14   31                                                  
CONECT   14    5   13   32                                                  
CONECT   15    6   18   33                                                  
CONECT   16    7   18   44                                                  
CONECT   17    8   20   45                                                  
CONECT   18   15   16   21                                                  
CONECT   19    9   22   34                                                  
CONECT   20   17   23   35                                                  
CONECT   21   18   27   36                                                  
CONECT   22   19   24   37                                                  
CONECT   23   20   25   38                                                  
CONECT   24   22   28   39                                                  
CONECT   25   23   29   40                                                  
CONECT   26   11   27   44                                                  
CONECT   27   21   26   46                                                  
CONECT   28   24   42   43                                                  
CONECT   29   25   45   46                                                  
CONECT   30   10                                                            
CONECT   31   13                                                            
CONECT   32   14                                                            
CONECT   33   15                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
CONECT   40   25                                                            
CONECT   41    8   10                                                       
CONECT   42    9   28                                                       
CONECT   43   12   28                                                       
CONECT   44   16   26                                                       
CONECT   45   17   29                                                       
CONECT   46   27   29                                                       
MASTER        0    0    0    0    0    0    0    0   46    0  100    0
END

COMPND    HMDB0039374
HETATM    1  C1  UNL     1      -8.775   0.384  -3.448  1.00  0.00           C  
HETATM    2  C2  UNL     1      -7.573  -0.380  -3.891  1.00  0.00           C  
HETATM    3  O1  UNL     1      -7.527  -1.002  -4.979  1.00  0.00           O  
HETATM    4  O2  UNL     1      -6.438  -0.423  -3.083  1.00  0.00           O  
HETATM    5  C3  UNL     1      -5.269  -1.122  -3.432  1.00  0.00           C  
HETATM    6  C4  UNL     1      -4.276  -0.921  -2.261  1.00  0.00           C  
HETATM    7  O3  UNL     1      -4.069   0.387  -2.154  1.00  0.00           O  
HETATM    8  C5  UNL     1      -3.709   0.919  -0.878  1.00  0.00           C  
HETATM    9  O4  UNL     1      -2.473   0.746  -0.540  1.00  0.00           O  
HETATM   10  C6  UNL     1      -1.202   0.648  -0.230  1.00  0.00           C  
HETATM   11  C7  UNL     1      -0.573   1.082   0.898  1.00  0.00           C  
HETATM   12  C8  UNL     1      -1.258   1.776   1.986  1.00  0.00           C  
HETATM   13  C9  UNL     1      -0.650   1.674   3.252  1.00  0.00           C  
HETATM   14  C10 UNL     1      -1.155   2.350   4.327  1.00  0.00           C  
HETATM   15  C11 UNL     1      -2.267   3.160   4.247  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.783   3.847   5.338  1.00  0.00           O  
HETATM   17  C12 UNL     1      -2.839   3.239   2.990  1.00  0.00           C  
HETATM   18  O6  UNL     1      -3.971   4.050   2.867  1.00  0.00           O  
HETATM   19  C13 UNL     1      -2.351   2.568   1.885  1.00  0.00           C  
HETATM   20  O7  UNL     1       0.736   0.864   1.027  1.00  0.00           O  
HETATM   21  C14 UNL     1       1.482   0.262   0.145  1.00  0.00           C  
HETATM   22  C15 UNL     1       2.839   0.072   0.347  1.00  0.00           C  
HETATM   23  C16 UNL     1       3.645  -0.559  -0.573  1.00  0.00           C  
HETATM   24  O8  UNL     1       4.990  -0.684  -0.247  1.00  0.00           O  
HETATM   25  C17 UNL     1       5.984  -1.272  -1.014  1.00  0.00           C  
HETATM   26  O9  UNL     1       6.952  -0.303  -1.286  1.00  0.00           O  
HETATM   27  C18 UNL     1       7.366   0.211  -0.054  1.00  0.00           C  
HETATM   28  C19 UNL     1       8.039   1.566  -0.225  1.00  0.00           C  
HETATM   29  C20 UNL     1       8.323  -0.810   0.521  1.00  0.00           C  
HETATM   30  O10 UNL     1       9.398  -1.010  -0.338  1.00  0.00           O  
HETATM   31  C21 UNL     1       7.553  -2.065   0.799  1.00  0.00           C  
HETATM   32  O11 UNL     1       6.875  -1.906   2.004  1.00  0.00           O  
HETATM   33  C22 UNL     1       6.570  -2.442  -0.253  1.00  0.00           C  
HETATM   34  O12 UNL     1       5.503  -3.112   0.353  1.00  0.00           O  
HETATM   35  C23 UNL     1       3.092  -1.016  -1.729  1.00  0.00           C  
HETATM   36  C24 UNL     1       1.746  -0.855  -1.984  1.00  0.00           C  
HETATM   37  O13 UNL     1       1.122  -1.297  -3.139  1.00  0.00           O  
HETATM   38  C25 UNL     1       0.941  -0.211  -1.037  1.00  0.00           C  
HETATM   39  C26 UNL     1      -0.383  -0.024  -1.228  1.00  0.00           C  
HETATM   40  O14 UNL     1      -0.904  -0.431  -2.271  1.00  0.00           O  
HETATM   41  C27 UNL     1      -4.859   0.492  -0.001  1.00  0.00           C  
HETATM   42  O15 UNL     1      -5.002   1.136   1.186  1.00  0.00           O  
HETATM   43  C28 UNL     1      -4.709  -1.004   0.211  1.00  0.00           C  
HETATM   44  O16 UNL     1      -5.735  -1.407   1.060  1.00  0.00           O  
HETATM   45  C29 UNL     1      -4.713  -1.735  -1.103  1.00  0.00           C  
HETATM   46  O17 UNL     1      -3.945  -2.888  -0.953  1.00  0.00           O  
HETATM   47  H1  UNL     1      -9.500  -0.359  -3.054  1.00  0.00           H  
HETATM   48  H2  UNL     1      -9.185   0.982  -4.296  1.00  0.00           H  
HETATM   49  H3  UNL     1      -8.526   1.072  -2.641  1.00  0.00           H  
HETATM   50  H4  UNL     1      -4.790  -0.612  -4.287  1.00  0.00           H  
HETATM   51  H5  UNL     1      -5.446  -2.204  -3.591  1.00  0.00           H  
HETATM   52  H6  UNL     1      -3.343  -1.416  -2.679  1.00  0.00           H  
HETATM   53  H7  UNL     1      -3.894   2.042  -1.093  1.00  0.00           H  
HETATM   54  H8  UNL     1       0.245   1.033   3.354  1.00  0.00           H  
HETATM   55  H9  UNL     1      -0.665   2.254   5.308  1.00  0.00           H  
HETATM   56  H10 UNL     1      -2.304   3.734   6.221  1.00  0.00           H  
HETATM   57  H11 UNL     1      -4.367   4.557   3.627  1.00  0.00           H  
HETATM   58  H12 UNL     1      -2.828   2.708   0.916  1.00  0.00           H  
HETATM   59  H13 UNL     1       3.256   0.455   1.295  1.00  0.00           H  
HETATM   60  H14 UNL     1       5.636  -1.667  -1.996  1.00  0.00           H  
HETATM   61  H15 UNL     1       6.544   0.344   0.664  1.00  0.00           H  
HETATM   62  H16 UNL     1       8.694   1.800   0.624  1.00  0.00           H  
HETATM   63  H17 UNL     1       8.599   1.512  -1.189  1.00  0.00           H  
HETATM   64  H18 UNL     1       7.220   2.305  -0.345  1.00  0.00           H  
HETATM   65  H19 UNL     1       8.732  -0.395   1.462  1.00  0.00           H  
HETATM   66  H20 UNL     1       9.807  -1.901  -0.109  1.00  0.00           H  
HETATM   67  H21 UNL     1       8.297  -2.881   0.962  1.00  0.00           H  
HETATM   68  H22 UNL     1       6.807  -0.949   2.218  1.00  0.00           H  
HETATM   69  H23 UNL     1       7.019  -3.195  -0.961  1.00  0.00           H  
HETATM   70  H24 UNL     1       5.820  -3.771   1.030  1.00  0.00           H  
HETATM   71  H25 UNL     1       3.687  -1.508  -2.464  1.00  0.00           H  
HETATM   72  H26 UNL     1       1.568  -1.768  -3.892  1.00  0.00           H  
HETATM   73  H27 UNL     1      -5.795   0.589  -0.638  1.00  0.00           H  
HETATM   74  H28 UNL     1      -5.252   2.076   1.078  1.00  0.00           H  
HETATM   75  H29 UNL     1      -3.757  -1.153   0.756  1.00  0.00           H  
HETATM   76  H30 UNL     1      -5.903  -0.656   1.688  1.00  0.00           H  
HETATM   77  H31 UNL     1      -5.760  -2.074  -1.274  1.00  0.00           H  
HETATM   78  H32 UNL     1      -4.365  -3.507  -0.292  1.00  0.00           H  
CONECT    1    2   47   48   49
CONECT    2    3    3    4
CONECT    4    5
CONECT    5    6   50   51
CONECT    6    7   45   52
CONECT    7    8
CONECT    8    9   41   53
CONECT    9   10
CONECT   10   11   11   39
CONECT   11   12   20
CONECT   12   13   13   19
CONECT   13   14   54
CONECT   14   15   15   55
CONECT   15   16   17
CONECT   16   56
CONECT   17   18   19   19
CONECT   18   57
CONECT   19   58
CONECT   20   21
CONECT   21   22   22   38
CONECT   22   23   59
CONECT   23   24   35   35
CONECT   24   25
CONECT   25   26   33   60
CONECT   26   27
CONECT   27   28   29   61
CONECT   28   62   63   64
CONECT   29   30   31   65
CONECT   30   66
CONECT   31   32   33   67
CONECT   32   68
CONECT   33   34   69
CONECT   34   70
CONECT   35   36   71
CONECT   36   37   38   38
CONECT   37   72
CONECT   38   39
CONECT   39   40   40
CONECT   41   42   43   73
CONECT   42   74
CONECT   43   44   45   75
CONECT   44   76
CONECT   45   46   77
CONECT   46   78
END

HMDB0039374
     RDKit          3D
6''-Acetylhyperin 7-rhamnoside
 78 82  0  0  0  0  0  0  0  0999 V2000
   -8.7753    0.3839   -3.4482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5731   -0.3800   -3.8912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5267   -1.0020   -4.9793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4384   -0.4235   -3.0828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2688   -1.1220   -3.4321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2758   -0.9210   -2.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0695    0.3872   -2.1535 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7092    0.9187   -0.8784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4728    0.7464   -0.5395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2022    0.6484   -0.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5732    1.0817    0.8984 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2578    1.7764    1.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6500    1.6737    3.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1546    2.3497    4.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    3.1600    4.2468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7828    3.8465    5.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8387    3.2391    2.9896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9706    4.0502    2.8668 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3510    2.5681    1.8849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356    0.8636    1.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4821    0.2621    0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8391    0.0722    0.3470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6453   -0.5586   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9898   -0.6836   -0.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9842   -1.2718   -1.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9518   -0.3031   -1.2861 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3658    0.2110   -0.0535 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0394    1.5657   -0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3230   -0.8105    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3983   -1.0100   -0.3378 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5534   -2.0645    0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8752   -1.9058    2.0042 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5697   -2.4424   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5026   -3.1121    0.3534 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916   -1.0164   -1.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7464   -0.8554   -1.9836 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1224   -1.2973   -3.1389 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9406   -0.2110   -1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -0.0238   -1.2278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044   -0.4309   -2.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8589    0.4919   -0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0021    1.1364    1.1865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7087   -1.0038    0.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7345   -1.4073    1.0599 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7134   -1.7350   -1.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -2.8884   -0.9530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4996   -0.3589   -3.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1853    0.9821   -4.2964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5258    1.0719   -2.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7904   -0.6117   -4.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4456   -2.2039   -3.5912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3430   -1.4161   -2.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8936    2.0421   -1.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2454    1.0326    3.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6646    2.2542    5.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    3.7341    6.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670    4.5566    3.6273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8277    2.7078    0.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2558    0.4547    1.2948 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6365   -1.6667   -1.9964 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5441    0.3442    0.6639 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6943    1.8004    0.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5991    1.5119   -1.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197    2.3049   -0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7320   -0.3950    1.4619 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8073   -1.9011   -0.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2966   -2.8805    0.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8067   -0.9485    2.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0187   -3.1949   -0.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8204   -3.7712    1.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6867   -1.5085   -2.4640 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5677   -1.7680   -3.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7950    0.5890   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2521    2.0761    1.0781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7573   -1.1533    0.7562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9033   -0.6559    1.6879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7601   -2.0739   -1.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3651   -3.5073   -0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
 11 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 23 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  2  0
  8 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 45  6  1  0
 39 10  1  0
 19 12  1  0
 38 21  1  0
 33 25  1  0
  1 47  1  0
  1 48  1  0
  1 49  1  0
  5 50  1  0
  5 51  1  0
  6 52  1  0
  8 53  1  0
 13 54  1  0
 14 55  1  0
 16 56  1  0
 18 57  1  0
 19 58  1  0
 22 59  1  0
 25 60  1  0
 27 61  1  0
 28 62  1  0
 28 63  1  0
 28 64  1  0
 29 65  1  0
 30 66  1  0
 31 67  1  0
 32 68  1  0
 33 69  1  0
 34 70  1  0
 35 71  1  0
 37 72  1  0
 41 73  1  0
 42 74  1  0
 43 75  1  0
 44 76  1  0
 45 77  1  0
 46 78  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Quercetin 3-(6''-acetylgalactoside)-7-rhamnoside	HMDB
Quercetin 3-O-(6''-acetyl-galactoside) 7-O-rhamnoside	HMDB
(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetic acid	Generator

Chemical Formula

C₂₉H₃₂O₁₇

Average Molecular Weight

652.5542

Monoisotopic Molecular Weight

652.163949598

IUPAC Name

(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-4H-chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

Traditional Name

(6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl acetate

CAS Registry Number

124027-51-6

SMILES

CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C29H32O17/c1-9-19(34)22(37)24(39)28(42-9)43-12-6-15(33)18-16(7-12)44-26(11-3-4-13(31)14(32)5-11)27(21(18)36)46-29-25(40)23(38)20(35)17(45-29)8-41-10(2)30/h3-7,9,17,19-20,22-25,28-29,31-35,37-40H,8H2,1-2H3

InChI Key

QBFLREGYLMFMCL-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

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0039374)
Cytoplasm (HMDB: HMDB0039374)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0039374)

Source

Exogenous

Food

Food (HMDB: HMDB0039374)

Pulse

Bean

Broad bean (FooDB: FOOD00197)

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Plant (HMDB: HMDB0039374)
Fabaceae (HMDB: HMDB0039374)

Not Available

Nutrient (HMDB: HMDB0039374)

Physical Properties

State

Not Available

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	1.84 g/L	ALOGPS
logP	0.42	ALOGPS
logP	-0.92	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Acidic)	8.11	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	271.59 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	149.03 m³·mol⁻¹	ChemAxon
Polarizability	62.59 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	246.789	31661259
DarkChem	[M-H]-	234.108	31661259
DeepCCS	[M+H]+	243.824	30932474
DeepCCS	[M-H]-	241.687	30932474
DeepCCS	[M-2H]-	274.926	30932474
DeepCCS	[M+Na]+	249.624	30932474
AllCCS	[M+H]+	238.7	32859911
AllCCS	[M+H-H2O]+	237.8	32859911
AllCCS	[M+NH4]+	239.6	32859911
AllCCS	[M+Na]+	239.8	32859911
AllCCS	[M-H]-	235.6	32859911
AllCCS	[M+Na-2H]-	238.4	32859911
AllCCS	[M+HCOO]-	241.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
6''-Acetylhyperin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O	6328.2	Standard polar	33892256
6''-Acetylhyperin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O	5171.6	Standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside	CC1OC(OC2=CC(O)=C3C(OC(C4=CC(O)=C(O)C=C4)=C(OC4OC(COC(C)=O)C(O)C(O)C4O)C3=O)=C2)C(O)C(O)C1O	5854.7	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #1	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5549.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #2	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5549.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #3	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5569.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #4	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5555.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #5	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5550.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #6	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5572.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #7	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5554.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #8	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5548.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TMS,isomer #9	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5549.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #1	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5384.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #10	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5381.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #11	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5343.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #12	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5391.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #13	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5415.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #14	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5355.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #15	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5398.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #16	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5407.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #17	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5370.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #18	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5414.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #19	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5439.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #2	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5360.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #20	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5381.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #21	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5423.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #22	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5453.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #23	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5434.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #24	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5461.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #25	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5482.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #26	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5469.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #27	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5434.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #28	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5408.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #29	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5441.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #3	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5423.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #30	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5486.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #31	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5467.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #32	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5450.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #33	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5478.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #34	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5456.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #35	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5463.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #36	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5463.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #4	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5392.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #5	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5425.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #6	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5450.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #7	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5404.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #8	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5433.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TMS,isomer #9	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5400.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #1	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5193.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #10	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5173.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #11	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5218.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #12	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5150.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #13	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5189.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #14	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5257.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #15	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5270.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #16	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5300.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #17	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5245.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #18	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5281.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #19	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5262.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #2	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5205.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #20	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5259.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #21	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5186.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #22	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5231.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #23	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5300.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #24	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5246.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #25	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5280.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #26	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5301.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #27	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5316.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #28	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5276.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #29	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5243.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #3	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5138.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #30	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5180.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #31	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5248.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #32	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5279.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #33	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5209.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #34	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5252.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #35	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5207.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #36	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5217.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #37	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5259.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #38	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5189.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #39	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5234.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #4	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5200.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #40	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5213.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #41	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5209.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #42	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5133.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #43	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5179.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #44	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5266.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #45	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5195.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #46	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5238.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #47	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5254.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #48	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5272.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #49	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5233.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #5	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5243.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #50	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5228.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #51	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5242.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #52	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5280.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #53	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5214.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #54	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5258.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #55	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5234.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #56	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5230.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #57	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5158.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #58	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5204.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #59	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5287.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #6	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5175.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #60	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5216.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #61	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5262.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #62	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5273.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #63	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5288.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #64	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5250.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #65	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5313.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #66	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5319.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #67	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5356.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #68	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5323.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #69	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5314.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #7	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C	5216.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #70	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5329.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #71	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5291.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #72	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5359.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #73	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5327.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #74	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5392.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #75	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5279.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #76	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5288.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #77	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5337.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #78	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C)C1O	5282.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #79	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5309.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #8	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5177.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #80	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5339.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #81	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5331.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #82	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5336.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #83	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C)C(O)C1O	5332.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #84	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C4O[Si](C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5323.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,3TMS,isomer #9	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C)C4O)=CC(O[Si](C)(C)C)=C3C2=O)C(O)C(O)C1O	5107.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #1	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5735.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #2	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5736.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #3	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5765.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #4	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5787.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #5	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5783.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #6	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5805.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #7	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5784.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #8	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5782.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,1TBDMS,isomer #9	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5791.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #1	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5797.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #10	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5764.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #11	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5730.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #12	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5743.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #13	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5786.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #14	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5764.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #15	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5767.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #16	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5799.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #17	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5766.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #18	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5779.6	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #19	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5818.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #2	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5762.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #20	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5799.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #21	CC(=O)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5801.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #22	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5811.0	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #23	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5779.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #24	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5804.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #25	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5848.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #26	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5825.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #27	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5807.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #28	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5771.8	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #29	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5790.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #3	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5792.1	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #30	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5841.5	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #31	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5835.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #32	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5802.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #33	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5828.4	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #34	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5805.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #35	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(O)C(O)C1O	5797.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #36	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5809.7	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #4	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O[Si](C)(C)C(C)(C)C)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5755.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #5	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O[Si](C)(C)C(C)(C)C)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O	5777.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #6	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5811.9	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #7	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5787.3	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #8	CC(=O)OCC1OC(OC2=C(C3=CC=C(O)C(O)=C3)OC3=CC(OC4OC(C)C(O)C(O)C4O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5789.2	Semi standard non polar	33892256
6''-Acetylhyperin 7-rhamnoside,2TBDMS,isomer #9	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(OC4OC(C)C(O)C(O)C4O)=CC(O)=C3C2=O)C(O)C(O)C1O	5778.6	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''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - 6''-Acetylhyperin 7-rhamnoside GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-17	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 10V, Positive-QTOF	splash10-0f7a-1112934000-2d01251f7bbe649794c7	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 20V, Positive-QTOF	splash10-0udj-0129710000-96986ebc75f36e193ed3	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 40V, Positive-QTOF	splash10-0udi-3349300000-68d8f5d93f3fc7d32d9c	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 10V, Negative-QTOF	splash10-0a4i-9101224000-fa6ac7eb48f762902c6d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 20V, Negative-QTOF	splash10-0a4i-9121410000-d9a01da69a3d1383502f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 40V, Negative-QTOF	splash10-0a4j-9154100000-4613b21395910501ddef	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 10V, Positive-QTOF	splash10-0udi-0000009000-6060c31aa74f3ac83ea1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 20V, Positive-QTOF	splash10-0udi-0000009000-6f812332b7457e56953d	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 40V, Positive-QTOF	splash10-0fr2-2090015000-c2ce8c68893daa97439b	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 10V, Negative-QTOF	splash10-0udi-0000009000-db2157d94806028d4725	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 20V, Negative-QTOF	splash10-0udi-0030009000-34650c19449f4b33bf94	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 6''-Acetylhyperin 7-rhamnoside 40V, Negative-QTOF	splash10-0awa-2591005000-6fcdc48a1f4d9882f0ed	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

379

FooDB ID

FDB018937

KNApSAcK ID

C00005981

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

14353459

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''-Acetylhyperin 7-rhamnoside (HMDB0039374)

MOL for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

3D MOL for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

3D SDF for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

3D-SDF for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

PDB for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

3D PDB for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

SMILES for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

INCHI for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

Structure for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

3D Structure for HMDB0039374 (6''-Acetylhyperin 7-rhamnoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra