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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 22:47:03 UTC

Update Date

2022-03-07 02:55:23 UTC

HMDB ID

HMDB0037533

Secondary Accession Numbers

HMDB37533

Metabolite Identification

Common Name

Rustoside

Description

Rustoside 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. Rustoside has been detected, but not quantified in, brassicas and horseradishes (Armoracia rusticana). This could make rustoside a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Rustoside.

Structure

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


  Mrv0541 05061309502D          

 41 45  0  0  0  0            999 V2000
    3.5724   -0.4125    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
    4.2868    0.0000    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
   -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
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    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
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  2  2  0  0  0  0
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  9  2  1  0  0  0  0
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 41 24  1  0  0  0  0
 41 25  1  0  0  0  0
M  END

HMDB0037533
     RDKit          3D
Rustoside
 69 73  0  0  0  0  0  0  0  0999 V2000
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   -1.7379    1.8168    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 69  1  0
M  END


  Mrv0541 05061309502D          

 41 45  0  0  0  0            999 V2000
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 11  6  1  0  0  0  0
 12  5  1  0  0  0  0
 13  8  1  0  0  0  0
 14  6  2  0  0  0  0
 15  7  1  0  0  0  0
 16 12  2  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 18  1  0  0  0  0
 21 17  1  0  0  0  0
 22  9  1  0  0  0  0
 23 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 20  1  0  0  0  0
 25 21  1  0  0  0  0
 26 24  1  0  0  0  0
 27  7  1  0  0  0  0
 28 10  1  0  0  0  0
 29 11  1  0  0  0  0
 30 12  1  0  0  0  0
 31 13  1  0  0  0  0
 32 17  1  0  0  0  0
 33 18  1  0  0  0  0
 34 19  2  0  0  0  0
 35 20  1  0  0  0  0
 36 21  1  0  0  0  0
 37  8  1  0  0  0  0
 37 25  1  0  0  0  0
 38 14  1  0  0  0  0
 38 22  1  0  0  0  0
 39 15  1  0  0  0  0
 39 26  1  0  0  0  0
 40 23  1  0  0  0  0
 40 26  1  0  0  0  0
 41 24  1  0  0  0  0
 41 25  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037533

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2

> <INCHI_KEY>
RXAXTTGJEMODPY-UHFFFAOYSA-N

> <FORMULA>
C26H28O15

> <MOLECULAR_WEIGHT>
580.4915

> <EXACT_MASS>
580.142820226

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
55.29367154770043

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

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

> <ALOGPS_LOGP>
-0.30

> <JCHEM_LOGP>
-0.9817706779999993

> <ALOGPS_LOGS>
-2.14

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.440188091728045

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.433888899581113

> <JCHEM_PKA_STRONGEST_BASIC>
-3.526580682626249

> <JCHEM_POLAR_SURFACE_AREA>
245.28999999999994

> <JCHEM_REFRACTIVITY>
133.74539999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0037533
     RDKit          3D
Rustoside
 69 73  0  0  0  0  0  0  0  0999 V2000
   -0.8447    2.4526   -0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    1.8168    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236    0.5006   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -0.0918   -1.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169   -0.7081   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.0285   -1.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -2.6126   -1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -4.1146   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -4.6939   -0.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -2.0677   -2.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -3.0141   -3.2536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148   -0.8115   -2.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544   -0.1388   -3.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1469    0.0458   -1.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    0.1347   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7404    1.3944   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234    1.5547   -1.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    0.6824   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.0506    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950   -0.0845    1.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    2.1297    1.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245    3.3333    1.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    1.9219    0.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443    3.0915    0.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237   -0.0978    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -1.4557    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2387   -2.1158    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -3.3869    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4086   -4.0812   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -5.3757   -0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -3.4500   -1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1555   -2.1475   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032    0.5900    1.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535    1.8140    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644    2.4946    2.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    3.8037    2.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5895    4.4758    3.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682    4.4674    2.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534    3.7910    1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459    4.4176    0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    2.4860    1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.6005    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -2.4200   -0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -4.5075   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -4.4365   -2.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802   -4.6666    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -1.8393   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -2.5768   -4.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -1.0396   -3.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890    0.7996   -3.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889    0.9651   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    2.0683   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811    0.8191   -0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -0.3479   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407    1.3620    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -0.3190    2.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    2.2075    2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1158    3.5734    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    1.0980    1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    3.7639    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669   -1.5594    2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3317   -3.8987    1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8308   -5.5206   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -3.9738   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -1.7505   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515    1.9314    3.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395    4.0463    4.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810    5.4848    2.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    5.3650    0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  3 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41  2  1  0
 14  5  1  0
 23 16  1  0
 32 26  1  0
 41 34  1  0
  5 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 27 61  1  0
 28 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 40 69  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       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.002   0.000   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      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       9.336   2.310   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      13.337  -7.700   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      10.669  -3.080   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0       8.002  -4.620   0.000  0.00  0.00           O+0
CONECT    1    3    9                                                       
CONECT    2    4    9                                                       
CONECT    3    1   10                                                       
CONECT    4    2   10                                                       
CONECT    5   11   12                                                       
CONECT    6   11   14                                                       
CONECT    7   15   27                                                       
CONECT    8   13   37                                                       
CONECT    9    1    2   22                                                  
CONECT   10    3    4   28                                                  
CONECT   11    5    6   29                                                  
CONECT   12    5   16   30                                                  
CONECT   13    8   17   31                                                  
CONECT   14    6   16   38                                                  
CONECT   15    7   18   39                                                  
CONECT   16   12   14   19                                                  
CONECT   17   13   21   32                                                  
CONECT   18   15   20   33                                                  
CONECT   19   16   23   34                                                  
CONECT   20   18   24   35                                                  
CONECT   21   17   25   36                                                  
CONECT   22    9   23   38                                                  
CONECT   23   19   22   40                                                  
CONECT   24   20   26   41                                                  
CONECT   25   21   37   41                                                  
CONECT   26   24   39   40                                                  
CONECT   27    7                                                            
CONECT   28   10                                                            
CONECT   29   11                                                            
CONECT   30   12                                                            
CONECT   31   13                                                            
CONECT   32   17                                                            
CONECT   33   18                                                            
CONECT   34   19                                                            
CONECT   35   20                                                            
CONECT   36   21                                                            
CONECT   37    8   25                                                       
CONECT   38   14   22                                                       
CONECT   39   15   26                                                       
CONECT   40   23   26                                                       
CONECT   41   24   25                                                       
MASTER        0    0    0    0    0    0    0    0   41    0   90    0
END

COMPND    HMDB0037533
HETATM    1  O1  UNL     1      -0.845   2.453  -0.541  1.00  0.00           O  
HETATM    2  C1  UNL     1      -1.738   1.817   0.023  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.024   0.501  -0.293  1.00  0.00           C  
HETATM    4  O2  UNL     1      -1.275  -0.092  -1.256  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.017  -0.708  -1.012  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.012  -2.028  -1.348  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.244  -2.613  -1.227  1.00  0.00           C  
HETATM    8  C5  UNL     1       1.178  -4.115  -1.363  1.00  0.00           C  
HETATM    9  O4  UNL     1       0.377  -4.694  -0.403  1.00  0.00           O  
HETATM   10  C6  UNL     1       2.215  -2.068  -2.249  1.00  0.00           C  
HETATM   11  O5  UNL     1       2.475  -3.014  -3.254  1.00  0.00           O  
HETATM   12  C7  UNL     1       1.615  -0.812  -2.819  1.00  0.00           C  
HETATM   13  O6  UNL     1       2.554  -0.139  -3.580  1.00  0.00           O  
HETATM   14  C8  UNL     1       1.147   0.046  -1.630  1.00  0.00           C  
HETATM   15  O7  UNL     1       2.220   0.135  -0.773  1.00  0.00           O  
HETATM   16  C9  UNL     1       2.740   1.394  -0.568  1.00  0.00           C  
HETATM   17  O8  UNL     1       4.023   1.555  -1.028  1.00  0.00           O  
HETATM   18  C10 UNL     1       4.865   0.682  -0.336  1.00  0.00           C  
HETATM   19  C11 UNL     1       4.929   1.051   1.132  1.00  0.00           C  
HETATM   20  O9  UNL     1       4.595  -0.085   1.862  1.00  0.00           O  
HETATM   21  C12 UNL     1       3.928   2.130   1.465  1.00  0.00           C  
HETATM   22  O10 UNL     1       4.524   3.333   1.052  1.00  0.00           O  
HETATM   23  C13 UNL     1       2.600   1.922   0.807  1.00  0.00           C  
HETATM   24  O11 UNL     1       1.844   3.091   0.884  1.00  0.00           O  
HETATM   25  C14 UNL     1      -3.024  -0.098   0.383  1.00  0.00           C  
HETATM   26  C15 UNL     1      -3.436  -1.456   0.155  1.00  0.00           C  
HETATM   27  C16 UNL     1      -4.239  -2.116   1.100  1.00  0.00           C  
HETATM   28  C17 UNL     1      -4.716  -3.387   0.906  1.00  0.00           C  
HETATM   29  C18 UNL     1      -4.409  -4.081  -0.273  1.00  0.00           C  
HETATM   30  O12 UNL     1      -4.919  -5.376  -0.426  1.00  0.00           O  
HETATM   31  C19 UNL     1      -3.630  -3.450  -1.198  1.00  0.00           C  
HETATM   32  C20 UNL     1      -3.156  -2.148  -0.972  1.00  0.00           C  
HETATM   33  O13 UNL     1      -3.703   0.590   1.339  1.00  0.00           O  
HETATM   34  C21 UNL     1      -3.454   1.814   1.651  1.00  0.00           C  
HETATM   35  C22 UNL     1      -4.164   2.495   2.634  1.00  0.00           C  
HETATM   36  C23 UNL     1      -3.875   3.804   2.947  1.00  0.00           C  
HETATM   37  O14 UNL     1      -4.589   4.476   3.930  1.00  0.00           O  
HETATM   38  C24 UNL     1      -2.868   4.467   2.287  1.00  0.00           C  
HETATM   39  C25 UNL     1      -2.153   3.791   1.303  1.00  0.00           C  
HETATM   40  O15 UNL     1      -1.146   4.418   0.628  1.00  0.00           O  
HETATM   41  C26 UNL     1      -2.460   2.486   1.008  1.00  0.00           C  
HETATM   42  H1  UNL     1       0.152  -0.601   0.103  1.00  0.00           H  
HETATM   43  H2  UNL     1       1.675  -2.420  -0.211  1.00  0.00           H  
HETATM   44  H3  UNL     1       2.219  -4.508  -1.211  1.00  0.00           H  
HETATM   45  H4  UNL     1       0.835  -4.436  -2.352  1.00  0.00           H  
HETATM   46  H5  UNL     1       0.780  -4.667   0.506  1.00  0.00           H  
HETATM   47  H6  UNL     1       3.198  -1.839  -1.805  1.00  0.00           H  
HETATM   48  H7  UNL     1       2.938  -2.577  -4.010  1.00  0.00           H  
HETATM   49  H8  UNL     1       0.669  -1.040  -3.386  1.00  0.00           H  
HETATM   50  H9  UNL     1       2.589   0.800  -3.244  1.00  0.00           H  
HETATM   51  H10 UNL     1       0.789   0.965  -2.072  1.00  0.00           H  
HETATM   52  H11 UNL     1       2.098   2.068  -1.223  1.00  0.00           H  
HETATM   53  H12 UNL     1       5.881   0.819  -0.751  1.00  0.00           H  
HETATM   54  H13 UNL     1       4.554  -0.348  -0.523  1.00  0.00           H  
HETATM   55  H14 UNL     1       5.941   1.362   1.453  1.00  0.00           H  
HETATM   56  H15 UNL     1       5.267  -0.319   2.557  1.00  0.00           H  
HETATM   57  H16 UNL     1       3.867   2.207   2.576  1.00  0.00           H  
HETATM   58  H17 UNL     1       4.116   3.573   0.180  1.00  0.00           H  
HETATM   59  H18 UNL     1       2.105   1.098   1.417  1.00  0.00           H  
HETATM   60  H19 UNL     1       2.386   3.764   1.362  1.00  0.00           H  
HETATM   61  H20 UNL     1      -4.467  -1.559   2.012  1.00  0.00           H  
HETATM   62  H21 UNL     1      -5.332  -3.899   1.624  1.00  0.00           H  
HETATM   63  H22 UNL     1      -5.831  -5.521  -0.865  1.00  0.00           H  
HETATM   64  H23 UNL     1      -3.383  -3.974  -2.115  1.00  0.00           H  
HETATM   65  H24 UNL     1      -2.581  -1.750  -1.790  1.00  0.00           H  
HETATM   66  H25 UNL     1      -4.951   1.931   3.131  1.00  0.00           H  
HETATM   67  H26 UNL     1      -5.340   4.046   4.452  1.00  0.00           H  
HETATM   68  H27 UNL     1      -2.581   5.485   2.468  1.00  0.00           H  
HETATM   69  H28 UNL     1      -0.845   5.365   0.768  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   41
CONECT    3    4   25   25
CONECT    4    5
CONECT    5    6   14   42
CONECT    6    7
CONECT    7    8   10   43
CONECT    8    9   44   45
CONECT    9   46
CONECT   10   11   12   47
CONECT   11   48
CONECT   12   13   14   49
CONECT   13   50
CONECT   14   15   51
CONECT   15   16
CONECT   16   17   23   52
CONECT   17   18
CONECT   18   19   53   54
CONECT   19   20   21   55
CONECT   20   56
CONECT   21   22   23   57
CONECT   22   58
CONECT   23   24   59
CONECT   24   60
CONECT   25   26   33
CONECT   26   27   27   32
CONECT   27   28   61
CONECT   28   29   29   62
CONECT   29   30   31
CONECT   30   63
CONECT   31   32   32   64
CONECT   32   65
CONECT   33   34
CONECT   34   35   35   41
CONECT   35   36   66
CONECT   36   37   38   38
CONECT   37   67
CONECT   38   39   68
CONECT   39   40   41   41
CONECT   40   69
END

HMDB0037533
     RDKit          3D
Rustoside
 69 73  0  0  0  0  0  0  0  0999 V2000
   -0.8447    2.4526   -0.5405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    1.8168    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0236    0.5006   -0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2745   -0.0918   -1.2560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169   -0.7081   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0125   -2.0285   -1.3477 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440   -2.6126   -1.2266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1777   -4.1146   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3773   -4.6939   -0.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2154   -2.0677   -2.2489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -3.0141   -3.2536 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148   -0.8115   -2.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5544   -0.1388   -3.5797 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1469    0.0458   -1.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    0.1347   -0.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7404    1.3944   -0.5677 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0234    1.5547   -1.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8653    0.6824   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9292    1.0506    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5950   -0.0845    1.8620 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    2.1297    1.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5245    3.3333    1.0523 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001    1.9219    0.8065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443    3.0915    0.8841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0237   -0.0978    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4359   -1.4557    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2387   -2.1158    1.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7164   -3.3869    0.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4086   -4.0812   -0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9188   -5.3757   -0.4255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6305   -3.4500   -1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1555   -2.1475   -0.9724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032    0.5900    1.3391 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4535    1.8140    1.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1644    2.4946    2.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8747    3.8037    2.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5895    4.4758    3.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8682    4.4674    2.2869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534    3.7910    1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1459    4.4176    0.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    2.4860    1.0084 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522   -0.6005    0.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -2.4200   -0.2111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2193   -4.5075   -1.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -4.4365   -2.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7802   -4.6666    0.5059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984   -1.8393   -1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382   -2.5768   -4.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6692   -1.0396   -3.3864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5890    0.7996   -3.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7889    0.9651   -2.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0980    2.0683   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8811    0.8191   -0.7505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5539   -0.3479   -0.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9407    1.3620    1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2670   -0.3190    2.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8672    2.2075    2.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1158    3.5734    0.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1050    1.0980    1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3863    3.7639    1.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4669   -1.5594    2.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3317   -3.8987    1.6239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8308   -5.5206   -0.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -3.9738   -2.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5814   -1.7505   -1.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9515    1.9314    3.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3395    4.0463    4.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5810    5.4848    2.4684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8449    5.3650    0.7681 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
  3 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 25 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 41  2  1  0
 14  5  1  0
 23 16  1  0
 32 26  1  0
 41 34  1  0
  5 42  1  0
  7 43  1  0
  8 44  1  0
  8 45  1  0
  9 46  1  0
 10 47  1  0
 11 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 16 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 20 56  1  0
 21 57  1  0
 22 58  1  0
 23 59  1  0
 24 60  1  0
 27 61  1  0
 28 62  1  0
 30 63  1  0
 31 64  1  0
 32 65  1  0
 35 66  1  0
 37 67  1  0
 38 68  1  0
 40 69  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Kaempferol 3-lathyroside	HMDB

Chemical Formula

C₂₆H₂₈O₁₅

Average Molecular Weight

580.4915

Monoisotopic Molecular Weight

580.142820226

IUPAC Name

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

Traditional Name

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

CAS Registry Number

83144-68-7

SMILES

OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O

InChI Identifier

InChI=1S/C26H28O15/c27-7-15-18(33)20(35)24(41-25-21(36)17(32)13(31)8-37-25)26(39-15)40-23-19(34)16-12(30)5-11(29)6-14(16)38-22(23)9-1-3-10(28)4-2-9/h1-6,13,15,17-18,20-21,24-33,35-36H,7-8H2

InChI Key

RXAXTTGJEMODPY-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glycosides

Alternative Parents

Substituents

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

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0037533)
Cytoplasm (HMDB: HMDB0037533)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0037533)

Source

Exogenous

Food

Food (HMDB: HMDB0037533)

Herb and spice

Spice

Horseradish (FooDB: FOOD00018)

Vegetable

Brassica

Brassicas (FooDB: FOOD00857)

Endogenous

Plant

Plant (HMDB: HMDB0037533)

Not Available

Nutrient (HMDB: HMDB0037533)

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	39910 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.2 g/L	ALOGPS
logP	-0.3	ALOGPS
logP	-0.98	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	6.43	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	245.29 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	133.75 m³·mol⁻¹	ChemAxon
Polarizability	55.29 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	218.469	30932474
DeepCCS	[M-H]-	216.074	30932474
DeepCCS	[M-2H]-	249.047	30932474
DeepCCS	[M+Na]+	224.382	30932474
AllCCS	[M+H]+	226.8	32859911
AllCCS	[M+H-H2O]+	225.4	32859911
AllCCS	[M+NH4]+	228.1	32859911
AllCCS	[M+Na]+	228.5	32859911
AllCCS	[M-H]-	222.3	32859911
AllCCS	[M+Na-2H]-	224.0	32859911
AllCCS	[M+HCOO]-	226.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Rustoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5419.9	Standard polar	33892256
Rustoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5089.0	Standard non polar	33892256
Rustoside	OCC1OC(OC2=C(OC3=CC(O)=CC(O)=C3C2=O)C2=CC=C(O)C=C2)C(OC2OCC(O)C(O)C2O)C(O)C1O	5493.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Rustoside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5335.5	Semi standard non polar	33892256
Rustoside,1TMS,isomer #2	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5388.0	Semi standard non polar	33892256
Rustoside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5374.4	Semi standard non polar	33892256
Rustoside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5379.6	Semi standard non polar	33892256
Rustoside,1TMS,isomer #5	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C1O	5370.8	Semi standard non polar	33892256
Rustoside,1TMS,isomer #6	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C1O	5346.4	Semi standard non polar	33892256
Rustoside,1TMS,isomer #7	C[Si](C)(C)OC1C(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)OCC(O)C1O	5348.8	Semi standard non polar	33892256
Rustoside,1TMS,isomer #8	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1OC1OCC(O)C(O)C1O	5359.2	Semi standard non polar	33892256
Rustoside,1TMS,isomer #9	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C1O	5351.0	Semi standard non polar	33892256
Rustoside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5282.1	Semi standard non polar	33892256
Rustoside,2TMS,isomer #10	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5282.9	Semi standard non polar	33892256
Rustoside,2TMS,isomer #11	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5290.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #12	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5291.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #13	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5252.1	Semi standard non polar	33892256
Rustoside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5268.5	Semi standard non polar	33892256
Rustoside,2TMS,isomer #15	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5292.9	Semi standard non polar	33892256
Rustoside,2TMS,isomer #16	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5278.8	Semi standard non polar	33892256
Rustoside,2TMS,isomer #17	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5275.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #18	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5281.3	Semi standard non polar	33892256
Rustoside,2TMS,isomer #19	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5281.9	Semi standard non polar	33892256
Rustoside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5286.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #20	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5243.7	Semi standard non polar	33892256
Rustoside,2TMS,isomer #21	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5260.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #22	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5279.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #23	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5287.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #24	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5284.3	Semi standard non polar	33892256
Rustoside,2TMS,isomer #25	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5247.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #26	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5262.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #27	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O	5264.3	Semi standard non polar	33892256
Rustoside,2TMS,isomer #28	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O	5271.8	Semi standard non polar	33892256
Rustoside,2TMS,isomer #29	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O	5256.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5275.7	Semi standard non polar	33892256
Rustoside,2TMS,isomer #30	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C	5277.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #31	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C1O	5239.9	Semi standard non polar	33892256
Rustoside,2TMS,isomer #32	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C1O	5249.1	Semi standard non polar	33892256
Rustoside,2TMS,isomer #33	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C1O[Si](C)(C)C	5245.1	Semi standard non polar	33892256
Rustoside,2TMS,isomer #34	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C1O	5249.6	Semi standard non polar	33892256
Rustoside,2TMS,isomer #35	C[Si](C)(C)OC1C(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)OCC(O)C1O	5263.2	Semi standard non polar	33892256
Rustoside,2TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C	5290.2	Semi standard non polar	33892256
Rustoside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5263.0	Semi standard non polar	33892256
Rustoside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5241.7	Semi standard non polar	33892256
Rustoside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5243.4	Semi standard non polar	33892256
Rustoside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5280.1	Semi standard non polar	33892256
Rustoside,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5286.9	Semi standard non polar	33892256
Rustoside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5264.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5176.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5105.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5126.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5146.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5167.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5132.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5083.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5106.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5127.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5148.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5136.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5156.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5130.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5142.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5173.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5103.3	Semi standard non polar	33892256
Rustoside,3TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5113.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5144.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5128.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5157.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5199.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5111.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5155.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #30	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5104.3	Semi standard non polar	33892256
Rustoside,3TMS,isomer #31	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5130.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #32	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5076.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #33	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5112.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5151.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #35	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5150.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #36	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5138.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #37	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5098.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #38	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5123.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #39	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5164.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5117.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #40	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5137.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5098.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #42	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5126.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5158.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #44	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5139.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #45	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5135.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #46	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5171.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #47	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5112.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5126.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #49	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5159.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5139.3	Semi standard non polar	33892256
Rustoside,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5142.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #51	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5136.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5148.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #53	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5096.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5134.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #55	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5128.3	Semi standard non polar	33892256
Rustoside,3TMS,isomer #56	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5122.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #57	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5075.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #58	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5101.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #59	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5119.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5153.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #60	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5072.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #61	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5102.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #62	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5117.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #63	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5118.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #64	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	5088.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5160.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #66	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5144.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #67	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5106.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5131.5	Semi standard non polar	33892256
Rustoside,3TMS,isomer #69	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5139.4	Semi standard non polar	33892256
Rustoside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5167.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5102.1	Semi standard non polar	33892256
Rustoside,3TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5134.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #72	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5144.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #73	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5136.0	Semi standard non polar	33892256
Rustoside,3TMS,isomer #74	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5115.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #75	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5125.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #76	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5112.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #77	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5122.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #78	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5121.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #79	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5125.6	Semi standard non polar	33892256
Rustoside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5128.8	Semi standard non polar	33892256
Rustoside,3TMS,isomer #80	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5143.2	Semi standard non polar	33892256
Rustoside,3TMS,isomer #81	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5103.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #82	C[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O	5085.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #83	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C1O[Si](C)(C)C	5096.7	Semi standard non polar	33892256
Rustoside,3TMS,isomer #84	C[Si](C)(C)OC1C(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)OCC(O)C1O	5121.9	Semi standard non polar	33892256
Rustoside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5150.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5039.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5022.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #100	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5000.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #101	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4977.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #102	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5006.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #103	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4944.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #104	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OCC(O)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4971.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #105	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4973.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #106	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4967.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #107	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C)C(O)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4944.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #108	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	4969.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #109	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4965.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5045.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #110	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C)C1OC1OCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4943.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #111	C[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)=C(C1=CC=C(O)C=C1)O2	4997.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #112	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5030.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #113	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4984.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #114	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5022.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #115	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5012.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #116	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5012.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #117	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4989.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #118	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5003.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #119	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5007.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5039.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #120	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	4983.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #121	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5036.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #122	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5004.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #123	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5004.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #124	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5012.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #125	C[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5013.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #126	C[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C1O[Si](C)(C)C	4980.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5044.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5049.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5071.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5016.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4995.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5022.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5032.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5064.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5051.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5085.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5018.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4939.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	4983.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5002.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5022.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5034.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5033.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5051.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	5005.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5076.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5009.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4989.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5019.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5023.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5044.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #36	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5081.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O	5005.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O	5001.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #39	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O	5025.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5054.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O[Si](C)(C)C	5056.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	4977.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	4954.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	4988.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4989.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5012.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5061.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #47	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O	5041.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O	5036.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)C1O[Si](C)(C)C	5065.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C)C1O	5046.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #50	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5038.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #51	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5056.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #52	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5093.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #53	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	5012.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	5036.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #55	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5055.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #56	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	5066.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #57	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4991.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #58	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4989.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #59	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4915.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O[Si](C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C	5068.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #60	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4955.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #61	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5008.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #62	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4979.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #63	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4905.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #64	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4951.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #65	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4996.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #66	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4970.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #67	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4967.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #68	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5017.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #69	C[Si](C)(C)OC1=CC(O[Si](C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4944.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O[Si](C)(C)C)C(O)C2O)C(O)C1O	5039.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #70	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4947.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #71	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5006.4	Semi standard non polar	33892256
Rustoside,4TMS,isomer #72	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5033.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #73	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	4982.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #74	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5009.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #75	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5047.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #76	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5006.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #77	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5004.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5036.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #79	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4982.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C)C2O)C(O)C1O	4972.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #80	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4980.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #81	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5027.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #82	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5002.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #83	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5004.7	Semi standard non polar	33892256
Rustoside,4TMS,isomer #84	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5029.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #85	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	4982.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #86	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	4973.5	Semi standard non polar	33892256
Rustoside,4TMS,isomer #87	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5023.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #88	C[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5030.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #89	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5028.2	Semi standard non polar	33892256
Rustoside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C)C(O)C1O	5020.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #90	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5031.0	Semi standard non polar	33892256
Rustoside,4TMS,isomer #91	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)C(=O)C3=C(O)C=C(O[Si](C)(C)C)C=C3O2)C=C1	5011.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #92	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5018.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #93	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5009.9	Semi standard non polar	33892256
Rustoside,4TMS,isomer #94	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4946.3	Semi standard non polar	33892256
Rustoside,4TMS,isomer #95	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4993.1	Semi standard non polar	33892256
Rustoside,4TMS,isomer #96	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O[Si](C)(C)C)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	5000.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #97	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4938.6	Semi standard non polar	33892256
Rustoside,4TMS,isomer #98	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3OC3OCC(O)C(O)C3O[Si](C)(C)C)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4987.8	Semi standard non polar	33892256
Rustoside,4TMS,isomer #99	C[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)C(=O)C3=C(O[Si](C)(C)C)C=C(O)C=C3O2)C=C1	4997.4	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5553.7	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5584.7	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5564.8	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5573.0	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C1O	5617.3	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C1O	5598.0	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)OCC(O)C1O	5594.2	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C1OC1OCC(O)C(O)C1O	5596.8	Semi standard non polar	33892256
Rustoside,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C1O	5595.9	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5659.3	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5658.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5661.1	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5677.3	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5630.6	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(O)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C(C3=CC=C(O)C=C3)OC2=C1	5630.2	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O[Si](C)(C)C(C)(C)C)C=C3O2)C=C1	5672.5	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O[Si](C)(C)C(C)(C)C)C=C(O)C=C3O2)C=C1	5648.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5635.8	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1OC1OCC(O)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5636.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O[Si](C)(C)C(C)(C)C)C(O)C1O)=C(C1=CC=C(O)C=C1)O2	5657.6	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O[Si](C)(C)C(C)(C)C)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5654.4	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O[Si](C)(C)C(C)(C)C)C1O)=C(C1=CC=C(O)C=C1)O2	5609.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC(O)=CC2=C1C(=O)C(OC1OC(CO)C(O)C(O)C1OC1OCC(O)C(O)C1O[Si](C)(C)C(C)(C)C)=C(C1=CC=C(O)C=C1)O2	5609.5	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5655.1	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3OC3OCC(O)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5658.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O[Si](C)(C)C(C)(C)C)C(O)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5667.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O[Si](C)(C)C(C)(C)C)C3O)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5617.5	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(C2=C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O[Si](C)(C)C(C)(C)C)C(=O)C3=C(O)C=C(O)C=C3O2)C=C1	5618.1	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5654.9	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5661.5	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5632.3	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O[Si](C)(C)C(C)(C)C)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O	5627.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5647.0	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O[Si](C)(C)C(C)(C)C)C2O)C1O	5614.0	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5618.8	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC1C(O)COC(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5610.9	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C1O	5611.1	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1C(OC2C(OC3=C(C4=CC=C(O)C=C4)OC4=CC(O)=CC(O)=C4C3=O)OC(CO)C(O)C2O[Si](C)(C)C(C)(C)C)OCC(O)C1O	5621.3	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C1O[Si](C)(C)C(C)(C)C	5661.5	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)C1O	5653.7	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)C1O	5615.9	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)C1O	5612.8	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5659.3	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(C3=CC=C(O)C=C3)OC3=CC(O)=CC(O)=C3C2=O)C(OC2OCC(O)C(O)C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5661.1	Semi standard non polar	33892256
Rustoside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(O[Si](C)(C)C(C)(C)C)=C2C(=O)C(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)=C(C3=CC=C(O)C=C3)OC2=C1	5627.1	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 - Rustoside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0irs-5330390000-cdb413090d6efc4b6d87	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (1 TMS) - 70eV, Positive	splash10-0uei-7702039000-0b5f79520dde59b332a6	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS ("Rustoside,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Rustoside GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	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 - Rustoside 10V, Positive-QTOF	splash10-0019-0190760000-9aecbecc7fd6f90538ba	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 20V, Positive-QTOF	splash10-000i-0190300000-457b7a2bdc029b6cac6b	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 40V, Positive-QTOF	splash10-000i-1590100000-7e560c6ef2414766d282	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 10V, Negative-QTOF	splash10-004s-1572790000-b0b962e7bc9dde29fa4e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 20V, Negative-QTOF	splash10-000j-1791410000-36c5604a779d740c7bbd	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 40V, Negative-QTOF	splash10-000l-7690000000-87689c2ac7357d552d4f	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 10V, Positive-QTOF	splash10-000i-0090020000-e2b11701562d857b4481	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 20V, Positive-QTOF	splash10-0020-0090090000-cb544898cf215edf9ac1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 40V, Positive-QTOF	splash10-000i-0090000000-03ec6f5113b2bb58d5cf	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 10V, Negative-QTOF	splash10-004i-0000090000-f4bc41162d556bcc9cac	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 20V, Negative-QTOF	splash10-004i-0050090000-b0eb934209dae4af96c3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Rustoside 40V, Negative-QTOF	splash10-001i-0090000000-0be0139a76575f242d1d	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB016615

KNApSAcK ID

C00005156

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

74977996

PDB ID

Not Available

ChEBI ID

176240

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1861821

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 Rustoside (HMDB0037533)

MOL for HMDB0037533 (Rustoside)

3D MOL for HMDB0037533 (Rustoside)

3D SDF for HMDB0037533 (Rustoside)

3D-SDF for HMDB0037533 (Rustoside)

PDB for HMDB0037533 (Rustoside)

3D PDB for HMDB0037533 (Rustoside)

SMILES for HMDB0037533 (Rustoside)

INCHI for HMDB0037533 (Rustoside)

Structure for HMDB0037533 (Rustoside)

3D Structure for HMDB0037533 (Rustoside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra