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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:27:40 UTC

Update Date

2022-03-07 02:53:49 UTC

HMDB ID

HMDB0033705

Secondary Accession Numbers

HMDB33705

Metabolite Identification

Common Name

Salviaflaside

Description

Salviaflaside belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. Salviaflaside has been detected, but not quantified in, herbs and spices. This could make salviaflaside a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Salviaflaside.

Structure

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


  Mrv0541 05061307182D          

 37 39  0  0  0  0            999 V2000
   -1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    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
   -0.7145    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  2  0  0  0  0
  5  1  2  0  0  0  0
  6  3  2  0  0  0  0
 11  1  1  0  0  0  0
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 15 13  2  0  0  0  0
 16  8  1  0  0  0  0
 16 14  2  0  0  0  0
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 18 10  1  0  0  0  0
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 36 24  1  0  0  0  0
 37 18  1  0  0  0  0
 37 24  1  0  0  0  0
M  END

HMDB0033705
     RDKit          3D
Salviaflaside
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.6428   -2.1723    0.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.7947    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.6548   -1.9293   -1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7208    0.4801    0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    0.8677   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9829    0.9424   -3.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5291   -0.1449   -2.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7112    2.5242   -1.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1601    3.6913   -2.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4308    2.7981   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6561    3.0609    0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END


  Mrv0541 05061307182D          

 37 39  0  0  0  0            999 V2000
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   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
HMDB0033705

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-11(1-5-14(16)27)3-6-19(29)35-17(23(33)34)9-12-2-4-13(26)15(28)7-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3-

> <INCHI_KEY>
DSMWJDJWYGMEBO-UTCJRWHESA-N

> <FORMULA>
C24H26O13

> <MOLECULAR_WEIGHT>
522.4554

> <EXACT_MASS>
522.137340918

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_AVERAGE_POLARIZABILITY>
47.90842570084257

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-(3,4-dihydroxyphenyl)-2-{[(2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid

> <ALOGPS_LOGP>
1.22

> <JCHEM_LOGP>
0.736058187666667

> <ALOGPS_LOGS>
-2.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.147041516163785

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.112744960140047

> <JCHEM_PKA_STRONGEST_BASIC>
-3.648395365887948

> <JCHEM_POLAR_SURFACE_AREA>
223.66999999999996

> <JCHEM_REFRACTIVITY>
123.09449999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.97e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-(3,4-dihydroxyphenyl)-2-{[(2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0033705
     RDKit          3D
Salviaflaside
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.6428   -2.1723    0.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.7947    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.2120    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -1.0362    2.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515   -1.3951    1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608   -2.5080    1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371   -2.6491    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -1.6752   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548   -1.9293   -1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452   -0.5338    0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.4801    0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    0.8677   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436    1.5773   -1.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5033    2.0366   -2.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9829    0.9424   -3.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5291   -0.1449   -2.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7112    2.5242   -1.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1601    3.6913   -2.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4308    2.7981   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6561    3.0609    0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164    1.6179    0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7428    0.7125    1.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078   -0.4038    1.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442   -1.9900    2.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -2.5558    1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746   -1.5749    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921   -0.3765   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088   -0.3322   -1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    0.7638   -1.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231    1.8356   -1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    2.9586   -1.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851    1.8485    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245    2.9412    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3215    0.7266    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8829   -3.8266    1.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6069   -4.4005    0.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -4.4100    2.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505   -0.8663    3.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -0.5362    3.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -3.3218    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -3.5407   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3581   -1.5527   -1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3941   -0.0229   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    2.8894   -2.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1399    0.5733   -3.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7340    1.3900   -3.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780   -1.0000   -2.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5387    1.7898   -1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6857    4.2664   -1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8209    3.7203    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5441    3.0963    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2236    1.9681    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7758   -0.1432    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547    0.4958    2.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -2.7904    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9953   -1.2908    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -2.1310   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4212   -1.1966   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    0.7471   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    2.9669   -2.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    3.7504    0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6233    0.6912    1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868   -4.4146    3.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
  2 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 25 35  1  0
 35 36  2  0
 35 37  1  0
 23  5  1  0
 34 27  1  0
 21 12  1  0
  3 38  1  0
  4 39  1  0
  6 40  1  0
  7 41  1  0
  9 42  1  0
 12 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 25 55  1  0
 26 56  1  0
 26 57  1  0
 28 58  1  0
 29 59  1  0
 31 60  1  0
 33 61  1  0
 34 62  1  0
 37 63  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.667   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668  11.550   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.668  13.090   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336  11.550   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -8.002  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -9.336  13.090   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -6.668   6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      -8.002  15.400   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0     -10.669  13.860   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -4.001   6.930   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -5.335   6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -8.002   6.160   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      -5.335   9.240   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       0.000   1.540   0.000  0.00  0.00           O+0
CONECT    1    5   11                                                       
CONECT    2    4   12                                                       
CONECT    3    6   11                                                       
CONECT    4    2   13                                                       
CONECT    5    1   14                                                       
CONECT    6    3   19                                                       
CONECT    7   12   15                                                       
CONECT    8   11   16                                                       
CONECT    9   12   17                                                       
CONECT   10   18   25                                                       
CONECT   11    1    3    8                                                  
CONECT   12    2    7    9                                                  
CONECT   13    4   15   26                                                  
CONECT   14    5   16   27                                                  
CONECT   15    7   13   28                                                  
CONECT   16    8   14   36                                                  
CONECT   17    9   23   35                                                  
CONECT   18   10   20   37                                                  
CONECT   19    6   29   35                                                  
CONECT   20   18   21   30                                                  
CONECT   21   20   22   31                                                  
CONECT   22   21   24   32                                                  
CONECT   23   17   33   34                                                  
CONECT   24   22   36   37                                                  
CONECT   25   10                                                            
CONECT   26   13                                                            
CONECT   27   14                                                            
CONECT   28   15                                                            
CONECT   29   19                                                            
CONECT   30   20                                                            
CONECT   31   21                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   23                                                            
CONECT   35   17   19                                                       
CONECT   36   16   24                                                       
CONECT   37   18   24                                                       
MASTER        0    0    0    0    0    0    0    0   37    0   78    0
END

COMPND    HMDB0033705
HETATM    1  O1  UNL     1       2.643  -2.172   0.811  1.00  0.00           O  
HETATM    2  C1  UNL     1       3.042  -1.795   1.909  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.263  -1.212   2.952  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.003  -1.036   2.953  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.051  -1.395   1.929  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.061  -2.508   1.158  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.837  -2.649   0.145  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.816  -1.675  -0.162  1.00  0.00           C  
HETATM    9  O2  UNL     1      -2.655  -1.929  -1.207  1.00  0.00           O  
HETATM   10  C8  UNL     1      -1.845  -0.534   0.617  1.00  0.00           C  
HETATM   11  O3  UNL     1      -2.721   0.480   0.446  1.00  0.00           O  
HETATM   12  C9  UNL     1      -3.821   0.868  -0.244  1.00  0.00           C  
HETATM   13  O4  UNL     1      -3.544   1.577  -1.394  1.00  0.00           O  
HETATM   14  C10 UNL     1      -4.503   2.037  -2.196  1.00  0.00           C  
HETATM   15  C11 UNL     1      -4.983   0.942  -3.152  1.00  0.00           C  
HETATM   16  O5  UNL     1      -5.529  -0.145  -2.526  1.00  0.00           O  
HETATM   17  C12 UNL     1      -5.711   2.524  -1.470  1.00  0.00           C  
HETATM   18  O6  UNL     1      -6.160   3.691  -2.068  1.00  0.00           O  
HETATM   19  C13 UNL     1      -5.431   2.798  -0.007  1.00  0.00           C  
HETATM   20  O7  UNL     1      -6.656   3.061   0.618  1.00  0.00           O  
HETATM   21  C14 UNL     1      -4.816   1.618   0.664  1.00  0.00           C  
HETATM   22  O8  UNL     1      -5.743   0.713   1.170  1.00  0.00           O  
HETATM   23  C15 UNL     1      -0.908  -0.404   1.659  1.00  0.00           C  
HETATM   24  O9  UNL     1       4.444  -1.990   2.091  1.00  0.00           O  
HETATM   25  C16 UNL     1       5.238  -2.556   1.090  1.00  0.00           C  
HETATM   26  C17 UNL     1       6.275  -1.575   0.560  1.00  0.00           C  
HETATM   27  C18 UNL     1       5.592  -0.376  -0.011  1.00  0.00           C  
HETATM   28  C19 UNL     1       5.209  -0.332  -1.337  1.00  0.00           C  
HETATM   29  C20 UNL     1       4.579   0.764  -1.863  1.00  0.00           C  
HETATM   30  C21 UNL     1       4.323   1.836  -1.066  1.00  0.00           C  
HETATM   31  O10 UNL     1       3.675   2.959  -1.612  1.00  0.00           O  
HETATM   32  C22 UNL     1       4.685   1.849   0.274  1.00  0.00           C  
HETATM   33  O11 UNL     1       4.424   2.941   1.084  1.00  0.00           O  
HETATM   34  C23 UNL     1       5.321   0.727   0.783  1.00  0.00           C  
HETATM   35  C24 UNL     1       5.883  -3.827   1.483  1.00  0.00           C  
HETATM   36  O12 UNL     1       6.607  -4.400   0.640  1.00  0.00           O  
HETATM   37  O13 UNL     1       5.725  -4.410   2.732  1.00  0.00           O  
HETATM   38  H1  UNL     1       2.850  -0.866   3.892  1.00  0.00           H  
HETATM   39  H2  UNL     1       0.558  -0.536   3.875  1.00  0.00           H  
HETATM   40  H3  UNL     1       0.751  -3.322   1.427  1.00  0.00           H  
HETATM   41  H4  UNL     1      -0.814  -3.541  -0.462  1.00  0.00           H  
HETATM   42  H5  UNL     1      -3.358  -1.553  -1.684  1.00  0.00           H  
HETATM   43  H6  UNL     1      -4.394  -0.023  -0.572  1.00  0.00           H  
HETATM   44  H7  UNL     1      -4.087   2.889  -2.819  1.00  0.00           H  
HETATM   45  H8  UNL     1      -4.140   0.573  -3.786  1.00  0.00           H  
HETATM   46  H9  UNL     1      -5.734   1.390  -3.840  1.00  0.00           H  
HETATM   47  H10 UNL     1      -5.378  -1.000  -2.978  1.00  0.00           H  
HETATM   48  H11 UNL     1      -6.539   1.790  -1.527  1.00  0.00           H  
HETATM   49  H12 UNL     1      -6.686   4.266  -1.474  1.00  0.00           H  
HETATM   50  H13 UNL     1      -4.821   3.720   0.093  1.00  0.00           H  
HETATM   51  H14 UNL     1      -6.544   3.096   1.598  1.00  0.00           H  
HETATM   52  H15 UNL     1      -4.224   1.968   1.540  1.00  0.00           H  
HETATM   53  H16 UNL     1      -5.776  -0.143   0.664  1.00  0.00           H  
HETATM   54  H17 UNL     1      -0.955   0.496   2.249  1.00  0.00           H  
HETATM   55  H18 UNL     1       4.591  -2.790   0.221  1.00  0.00           H  
HETATM   56  H19 UNL     1       6.995  -1.291   1.353  1.00  0.00           H  
HETATM   57  H20 UNL     1       6.841  -2.131  -0.212  1.00  0.00           H  
HETATM   58  H21 UNL     1       5.421  -1.197  -1.963  1.00  0.00           H  
HETATM   59  H22 UNL     1       4.302   0.747  -2.902  1.00  0.00           H  
HETATM   60  H23 UNL     1       3.401   2.967  -2.583  1.00  0.00           H  
HETATM   61  H24 UNL     1       3.961   3.750   0.700  1.00  0.00           H  
HETATM   62  H25 UNL     1       5.623   0.691   1.816  1.00  0.00           H  
HETATM   63  H26 UNL     1       4.787  -4.415   3.118  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   24
CONECT    3    4    4   38
CONECT    4    5   39
CONECT    5    6    6   23
CONECT    6    7   40
CONECT    7    8    8   41
CONECT    8    9   10
CONECT    9   42
CONECT   10   11   23   23
CONECT   11   12
CONECT   12   13   21   43
CONECT   13   14
CONECT   14   15   17   44
CONECT   15   16   45   46
CONECT   16   47
CONECT   17   18   19   48
CONECT   18   49
CONECT   19   20   21   50
CONECT   20   51
CONECT   21   22   52
CONECT   22   53
CONECT   23   54
CONECT   24   25
CONECT   25   26   35   55
CONECT   26   27   56   57
CONECT   27   28   28   34
CONECT   28   29   58
CONECT   29   30   30   59
CONECT   30   31   32
CONECT   31   60
CONECT   32   33   34   34
CONECT   33   61
CONECT   34   62
CONECT   35   36   36   37
CONECT   37   63
END

HMDB0033705
     RDKit          3D
Salviaflaside
 63 65  0  0  0  0  0  0  0  0999 V2000
    2.6428   -2.1723    0.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0421   -1.7947    1.9093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2631   -1.2120    2.9520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0026   -1.0362    2.9533 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0515   -1.3951    1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0608   -2.5080    1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8371   -2.6491    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8155   -1.6752   -0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6548   -1.9293   -1.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452   -0.5338    0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208    0.4801    0.4457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8215    0.8677   -0.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436    1.5773   -1.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5033    2.0366   -2.1962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9829    0.9424   -3.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5291   -0.1449   -2.5259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7112    2.5242   -1.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1601    3.6913   -2.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4308    2.7981   -0.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6561    3.0609    0.6177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8164    1.6179    0.6644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7428    0.7125    1.1703 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9078   -0.4038    1.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442   -1.9900    2.0913 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -2.5558    1.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2746   -1.5749    0.5595 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921   -0.3765   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088   -0.3322   -1.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5790    0.7638   -1.8630 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3231    1.8356   -1.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6752    2.9586   -1.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6851    1.8485    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4245    2.9412    1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3215    0.7266    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8829   -3.8266    1.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6069   -4.4005    0.6400 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7254   -4.4100    2.7318 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8505   -0.8663    3.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -0.5362    3.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -3.3218    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -3.5407   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3581   -1.5527   -1.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3941   -0.0229   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0866    2.8894   -2.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1399    0.5733   -3.7861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7340    1.3900   -3.8401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3780   -1.0000   -2.9778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5387    1.7898   -1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6857    4.2664   -1.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8209    3.7203    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5441    3.0963    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2236    1.9681    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7758   -0.1432    0.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547    0.4958    2.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5914   -2.7904    0.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9953   -1.2908    1.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8412   -2.1310   -0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4212   -1.1966   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    0.7471   -2.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    2.9669   -2.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9610    3.7504    0.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6233    0.6912    1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7868   -4.4146    3.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 10 23  2  0
  2 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  2  0
 25 35  1  0
 35 36  2  0
 35 37  1  0
 23  5  1  0
 34 27  1  0
 21 12  1  0
  3 38  1  0
  4 39  1  0
  6 40  1  0
  7 41  1  0
  9 42  1  0
 12 43  1  0
 14 44  1  0
 15 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 19 50  1  0
 20 51  1  0
 21 52  1  0
 22 53  1  0
 23 54  1  0
 25 55  1  0
 26 56  1  0
 26 57  1  0
 28 58  1  0
 29 59  1  0
 31 60  1  0
 33 61  1  0
 34 62  1  0
 37 63  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Rosmarinic acid 3'-glucoside	HMDB
3-(3,4-Dihydroxyphenyl)-2-{[(2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoate	Generator

Chemical Formula

C₂₄H₂₆O₁₃

Average Molecular Weight

522.4554

Monoisotopic Molecular Weight

522.137340918

IUPAC Name

3-(3,4-dihydroxyphenyl)-2-{[(2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid

Traditional Name

3-(3,4-dihydroxyphenyl)-2-{[(2Z)-3-(4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoyl]oxy}propanoic acid

CAS Registry Number

178895-25-5

SMILES

OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O

InChI Identifier

InChI=1S/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-11(1-5-14(16)27)3-6-19(29)35-17(23(33)34)9-12-2-4-13(26)15(28)7-12/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)/b6-3-

InChI Key

DSMWJDJWYGMEBO-UTCJRWHESA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Benzopyrans

Sub Class

1-benzopyrans

Direct Parent

1-benzopyrans

Alternative Parents

Substituents

1-benzopyran
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Benzenoid
Tertiary alcohol
Oxacycle
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0033705)
Cytoplasm (HMDB: HMDB0033705)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0033705)

Source

Exogenous

Food

Food (HMDB: HMDB0033705)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0033705)

Not Available

Nutrient (HMDB: HMDB0033705)

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	11740 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	0.6 g/L	ALOGPS
logP	1.22	ALOGPS
logP	0.74	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	3.11	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	12	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	223.67 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	123.09 m³·mol⁻¹	ChemAxon
Polarizability	47.91 Å³	ChemAxon
Number of Rings	3	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]+	215.078	30932474
DeepCCS	[M-H]-	212.682	30932474
DeepCCS	[M-2H]-	245.567	30932474
DeepCCS	[M+Na]+	220.99	30932474
AllCCS	[M+H]+	215.8	32859911
AllCCS	[M+H-H2O]+	214.2	32859911
AllCCS	[M+NH4]+	217.3	32859911
AllCCS	[M+Na]+	217.7	32859911
AllCCS	[M-H]-	208.8	32859911
AllCCS	[M+Na-2H]-	210.1	32859911
AllCCS	[M+HCOO]-	211.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Salviaflaside	OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O	6852.2	Standard polar	33892256
Salviaflaside	OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O	4642.8	Standard non polar	33892256
Salviaflaside	OCC1OC(OC2=C(O)C=CC(\C=C/C(=O)OC(CC3=CC(O)=C(O)C=C3)C(O)=O)=C2)C(O)C(O)C1O	4775.2	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Salviaflaside,1TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	4783.0	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #2	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O	4828.6	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #3	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)=CC=C1O	4765.9	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #4	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O	4779.1	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #5	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	4761.7	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #6	C[Si](C)(C)OC1C(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)OC(CO)C(O)C1O	4779.3	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #7	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C1O	4756.6	Semi standard non polar	33892256
Salviaflaside,1TMS,isomer #8	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C1O	4769.8	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	4638.9	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #10	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	4702.2	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #11	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4690.9	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #12	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4671.9	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #13	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4703.8	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #14	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(=O)O)=CC=C1O	4611.2	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #15	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	4583.9	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #16	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4618.2	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #17	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	4587.6	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #18	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C	4659.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #19	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O	4629.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	4616.7	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #20	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O	4601.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #21	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4634.0	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #22	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	4616.7	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #23	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4629.7	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #24	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4607.6	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #25	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4646.0	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #26	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C1O	4668.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #27	C[Si](C)(C)OC1C(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)OC(CO)C(O)C1O[Si](C)(C)C	4677.5	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #28	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C1O[Si](C)(C)C	4652.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	4644.8	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4688.3	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4690.1	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4663.7	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4683.6	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #8	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O	4685.4	Semi standard non polar	33892256
Salviaflaside,2TMS,isomer #9	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)=CC=C1O	4663.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	4512.3	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4462.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4499.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4536.3	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4542.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4489.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4531.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4591.0	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4552.6	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4578.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4594.1	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	4449.4	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4632.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4587.6	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #22	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O	4533.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #23	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O	4496.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #24	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4535.3	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	4516.0	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #26	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O	4573.3	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #27	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(=O)O)=CC=C1O	4520.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #28	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	4482.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #29	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4522.1	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4520.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #30	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	4490.0	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #31	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4541.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #32	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4509.3	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #33	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4557.5	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #34	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4559.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #35	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4583.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #36	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4583.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #37	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	4463.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #38	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4485.0	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #39	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4425.4	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4517.0	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #40	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C	4524.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #41	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4484.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #42	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4400.5	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #43	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C	4491.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #44	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4425.5	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #45	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C	4525.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #46	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	4499.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #47	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O	4479.9	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #48	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4499.7	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #49	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4443.5	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4479.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #50	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4499.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #51	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4417.5	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #52	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4443.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #53	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4491.6	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #54	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4514.8	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #55	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4512.2	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4570.1	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4515.1	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	4424.4	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4499.4	Semi standard non polar	33892256
Salviaflaside,3TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4503.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O	4385.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4458.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4408.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4445.6	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4431.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4462.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4426.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4358.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4357.5	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4320.6	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4353.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4457.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4438.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4390.6	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4428.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4412.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4441.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4406.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4475.7	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4410.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4461.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4448.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4456.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4485.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4434.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4521.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4553.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4514.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4556.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #36	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O	4421.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #37	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4448.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #38	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4390.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #39	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	4482.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4413.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #40	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4435.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #41	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4358.6	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #42	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	4446.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #43	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4388.7	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #44	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	4481.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #45	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	4444.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #46	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	4401.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #47	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4429.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #48	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4373.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #49	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4417.5	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4450.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #50	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4337.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #51	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4373.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #52	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4432.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #53	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4456.6	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #54	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4447.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #55	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4511.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #56	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4393.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #57	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4313.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #58	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C	4426.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #59	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4335.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4378.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #60	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C	4448.7	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #61	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4393.1	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #62	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4321.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #63	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C	4435.7	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #64	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4365.9	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #65	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4391.5	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #66	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4411.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #67	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4340.8	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #68	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4356.0	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #69	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4347.2	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4378.4	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #70	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4435.7	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4344.3	Semi standard non polar	33892256
Salviaflaside,4TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4373.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O	4354.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #10	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4396.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4345.2	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4302.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4331.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #14	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4318.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4334.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4314.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #17	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4398.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4417.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4390.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O	4346.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4396.8	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4319.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4275.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #23	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4309.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #24	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4283.9	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #25	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4304.2	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #26	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4282.4	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #27	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4372.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4393.9	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4363.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C)C1O	4309.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #30	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4373.0	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4418.4	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4439.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4407.4	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #34	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4435.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #35	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4517.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #36	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O	4383.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #37	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4300.8	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #38	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4399.0	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #39	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4317.8	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O[Si](C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C	4339.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #40	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4419.4	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)=C1	4363.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #42	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4303.1	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #43	C[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	4402.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)=C1	4326.1	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #45	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)=C1	4361.9	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #46	C[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)=CC=C1O	4361.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #47	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4270.2	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #48	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4292.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #49	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4274.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	4423.6	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #50	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4414.7	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #51	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4258.4	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #52	C[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C3O[Si](C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C	4387.0	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #53	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)=C1	4307.0	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #54	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)=C1	4328.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #55	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4309.0	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #56	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)=C1	4290.5	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #6	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	4386.9	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	4420.3	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	4402.8	Semi standard non polar	33892256
Salviaflaside,5TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	4419.9	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	5024.2	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O	5088.2	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)=CC=C1O	5038.3	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O	5056.7	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	5053.4	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)OC(CO)C(O)C1O	5044.6	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C1O	5015.7	Semi standard non polar	33892256
Salviaflaside,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C1O	5037.1	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	5072.9	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	5170.8	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5131.5	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5110.9	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5142.1	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(=O)O)=CC=C1O	5053.7	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	5042.9	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O	5049.5	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	5053.5	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	5104.9	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O	5081.6	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	5040.6	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)C=C1O	5069.6	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O	5075.5	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	5089.1	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	5082.6	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	5064.0	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5089.4	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	5099.2	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1C(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	5107.3	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	5077.8	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O	5082.3	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5107.9	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5101.1	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5080.2	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5086.6	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)C=C1O	5157.8	Semi standard non polar	33892256
Salviaflaside,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O)=C2)C(=O)O)=CC=C1O	5127.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O	5152.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5119.1	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5119.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5189.7	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5155.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5107.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5131.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5209.8	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5172.6	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5188.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5175.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O	5136.8	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5199.1	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5165.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O	5211.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)C=C1O	5186.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O	5210.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	5222.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O)C1O	5261.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(=O)O)=CC=C1O	5173.2	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	5145.2	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O[Si](C)(C)C(C)(C)C)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O	5174.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5197.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O)=C1	5180.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	5197.2	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	5166.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O[Si](C)(C)C(C)(C)C)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5216.1	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	5176.7	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	5203.7	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=CC=C(/C=C\C(=O)OC(CC2=CC=C(O)C(O)=C2)C(=O)O)C=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5212.2	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)=CC=C1O	5114.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O	5113.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	5107.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5148.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	5169.9	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=CC(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)=CC=C1O	5132.6	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	5100.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	5155.2	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5089.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O[Si](C)(C)C(C)(C)C	5161.8	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O)=C1	5170.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C3O)=C2)C(=O)O)C=C1O	5153.4	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O	5150.8	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)=C1	5148.8	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	5159.5	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(OC(=O)/C=C\C2=CC=C(O)C(OC3OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C3O[Si](C)(C)C(C)(C)C)=C2)C(=O)O)C=C1O	5167.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	5147.1	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5132.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)=C1	5102.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)=C1	5131.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(O)=C1)OC(=O)/C=C\C1=CC=C(O)C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)=C1	5134.3	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	5171.0	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(=O)O)=CC=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	5153.7	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)C(O)C(O)C1O	5092.6	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	5156.6	Semi standard non polar	33892256
Salviaflaside,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=CC(/C=C\C(=O)OC(CC3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(=O)O)=CC=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	5115.2	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 - Salviaflaside GC-MS (Non-derivatized) - 70eV, Positive	splash10-0nml-5901310000-5fc6d7d5376f3dc3125b	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Salviaflaside GC-MS (2 TMS) - 70eV, Positive	splash10-0w2a-3911004000-46891d35f17976746d43	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Salviaflaside GC-MS (TBDMS_3_16) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Salviaflaside GC-MS ("Salviaflaside,3TBDMS,#16" TMS) - 70eV, Positive	Not Available	2021-10-14	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 - Salviaflaside 10V, Positive-QTOF	splash10-03k9-0829050000-cb27f42c1e6eb384768b	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 20V, Positive-QTOF	splash10-03di-0905000000-19c1e7c8b8da49bc8d96	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 40V, Positive-QTOF	splash10-0229-0901000000-a6b0d30eb42efe7d2e54	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 10V, Negative-QTOF	splash10-00fr-1915050000-fef4801088bb6ee97692	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 20V, Negative-QTOF	splash10-05dm-0916000000-b7d104d076653778715e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 40V, Negative-QTOF	splash10-004i-2912000000-5e60242984b1cbbef075	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 10V, Negative-QTOF	splash10-00di-0404290000-0b2a1d5dc657de06f71d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 20V, Negative-QTOF	splash10-00di-1729120000-8e99b4589007e58657a3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 40V, Negative-QTOF	splash10-07jr-1926100000-7be66d1c2be10f80972d	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 10V, Positive-QTOF	splash10-02vi-0709020000-458b803823c19880f05f	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 20V, Positive-QTOF	splash10-03di-0912000000-7a69f22fd68725016868	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Salviaflaside 40V, Positive-QTOF	splash10-03dr-0921000000-f2e70d10ff52da54fad0	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

FDB011820

KNApSAcK ID

C00037772

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

131751481

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1837831

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 Salviaflaside (HMDB0033705)

MOL for HMDB0033705 (Salviaflaside)

3D MOL for HMDB0033705 (Salviaflaside)

3D SDF for HMDB0033705 (Salviaflaside)

3D-SDF for HMDB0033705 (Salviaflaside)

PDB for HMDB0033705 (Salviaflaside)

3D PDB for HMDB0033705 (Salviaflaside)

SMILES for HMDB0033705 (Salviaflaside)

INCHI for HMDB0033705 (Salviaflaside)

Structure for HMDB0033705 (Salviaflaside)

3D Structure for HMDB0033705 (Salviaflaside)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra